Stem definition | Drug id | CAS RN |
---|---|---|
diphenylmethyl piperazine derivatives | 749 | 82-92-8 |
Dose | Unit | Route |
---|---|---|
0.10 | g | O |
0.10 | g | P |
0.30 | g | R |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 8.70 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 8.02 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Vd (Volume of distribution) | 16.50 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 14.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 13.53 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | GLAXOSMITHKLINE |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Neutropenic sepsis | 197.10 | 25.83 | 77 | 8028 | 14070 | 50582949 |
Mucosal inflammation | 136.11 | 25.83 | 83 | 8022 | 40059 | 50556960 |
Vomiting | 117.37 | 25.83 | 239 | 7866 | 460519 | 50136500 |
Pituitary tumour benign | 100.76 | 25.83 | 28 | 8077 | 1753 | 50595266 |
Desmoplastic small round cell tumour | 96.09 | 25.83 | 15 | 8090 | 42 | 50596977 |
Skin candida | 89.71 | 25.83 | 24 | 8081 | 1302 | 50595717 |
Lower respiratory tract infection | 83.60 | 25.83 | 89 | 8016 | 95112 | 50501907 |
Hyperprolactinaemia | 71.50 | 25.83 | 25 | 8080 | 3340 | 50593679 |
Constipation | 70.71 | 25.83 | 115 | 7990 | 185593 | 50411426 |
Diarrhoea | 68.79 | 25.83 | 228 | 7877 | 588248 | 50008771 |
Secondary adrenocortical insufficiency | 55.73 | 25.83 | 16 | 8089 | 1127 | 50595892 |
Abdominal pain | 54.45 | 25.83 | 118 | 7987 | 236110 | 50360909 |
Ejection fraction decreased | 51.95 | 25.83 | 34 | 8071 | 18486 | 50578533 |
Spina bifida | 48.97 | 25.83 | 13 | 8092 | 684 | 50596335 |
Metastases to peritoneum | 48.72 | 25.83 | 18 | 8087 | 2815 | 50594204 |
Hypomagnesaemia | 47.33 | 25.83 | 35 | 8070 | 23121 | 50573898 |
Lacrimation increased | 47.19 | 25.83 | 31 | 8074 | 16961 | 50580058 |
Drug ineffective | 46.67 | 25.83 | 38 | 8067 | 819295 | 49777724 |
Mouth ulceration | 45.60 | 25.83 | 37 | 8068 | 27987 | 50569032 |
Rectal cancer metastatic | 45.25 | 25.83 | 10 | 8095 | 240 | 50596779 |
Cerebral ventricle dilatation | 45.16 | 25.83 | 13 | 8092 | 924 | 50596095 |
Hypokalaemia | 41.14 | 25.83 | 60 | 8045 | 87932 | 50509087 |
Perforation | 40.40 | 25.83 | 12 | 8093 | 952 | 50596067 |
Nail dystrophy | 37.97 | 25.83 | 11 | 8094 | 800 | 50596219 |
Sepsis | 37.18 | 25.83 | 72 | 8033 | 132853 | 50464166 |
Ascites | 35.88 | 25.83 | 36 | 8069 | 35825 | 50561194 |
Neuropathy peripheral | 35.49 | 25.83 | 59 | 8046 | 96698 | 50500321 |
Agitation neonatal | 33.53 | 25.83 | 9 | 8096 | 494 | 50596525 |
Anaphylactic reaction | 33.05 | 25.83 | 42 | 8063 | 54013 | 50543006 |
Metastases to lymph nodes | 33.05 | 25.83 | 18 | 8087 | 7006 | 50590013 |
Excessive eye blinking | 32.05 | 25.83 | 10 | 8095 | 936 | 50596083 |
Neutrophil count decreased | 31.75 | 25.83 | 38 | 8067 | 45988 | 50551031 |
Acute kidney injury | 31.59 | 25.83 | 94 | 8011 | 227964 | 50369055 |
Lethargy | 31.16 | 25.83 | 39 | 8066 | 49393 | 50547626 |
Hiccups | 29.72 | 25.83 | 11 | 8094 | 1728 | 50595291 |
Genital rash | 29.67 | 25.83 | 8 | 8097 | 447 | 50596572 |
Neutropenia | 29.65 | 25.83 | 70 | 8035 | 147895 | 50449124 |
Poor feeding infant | 29.36 | 25.83 | 7 | 8098 | 237 | 50596782 |
Petit mal epilepsy | 29.21 | 25.83 | 13 | 8092 | 3276 | 50593743 |
Pain | 29.11 | 25.83 | 30 | 8075 | 578873 | 50018146 |
Vaginal discharge | 29.10 | 25.83 | 15 | 8090 | 5225 | 50591794 |
Nail infection | 28.33 | 25.83 | 11 | 8094 | 1970 | 50595049 |
Nervous system disorder | 27.62 | 25.83 | 22 | 8083 | 16201 | 50580818 |
Thrombocytopenia | 27.33 | 25.83 | 62 | 8043 | 127611 | 50469408 |
Axillary pain | 27.00 | 25.83 | 10 | 8095 | 1574 | 50595445 |
Acquired cystic kidney disease | 26.81 | 25.83 | 5 | 8100 | 49 | 50596970 |
Dizziness | 26.78 | 25.83 | 118 | 7987 | 346251 | 50250768 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Neutropenic sepsis | 69.56 | 28.28 | 27 | 1947 | 11700 | 29560853 |
Meconium abnormal | 52.18 | 28.28 | 8 | 1966 | 57 | 29572496 |
Febrile neutropenia | 50.96 | 28.28 | 49 | 1925 | 112191 | 29460362 |
Bruxism | 49.68 | 28.28 | 13 | 1961 | 1574 | 29570979 |
Dystonia | 45.85 | 28.28 | 19 | 1955 | 9730 | 29562823 |
Necrotising enterocolitis neonatal | 42.77 | 28.28 | 8 | 1966 | 203 | 29572350 |
Tongue disorder | 35.94 | 28.28 | 13 | 1961 | 4623 | 29567930 |
Vomiting | 34.20 | 28.28 | 55 | 1919 | 212205 | 29360348 |
Duodenal perforation | 29.05 | 28.28 | 8 | 1966 | 1174 | 29571379 |
Toxic encephalopathy | 28.67 | 28.28 | 11 | 1963 | 4601 | 29567952 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Neutropenic sepsis | 213.10 | 21.65 | 92 | 9560 | 23180 | 64465900 |
Vomiting | 144.30 | 21.65 | 278 | 9374 | 550839 | 63938241 |
Lower respiratory tract infection | 98.43 | 21.65 | 94 | 9558 | 94520 | 64394560 |
Pituitary tumour benign | 95.63 | 21.65 | 28 | 9624 | 2265 | 64486815 |
Desmoplastic small round cell tumour | 93.60 | 21.65 | 15 | 9637 | 57 | 64489023 |
Mucosal inflammation | 88.54 | 21.65 | 74 | 9578 | 62510 | 64426570 |
Skin candida | 80.84 | 21.65 | 23 | 9629 | 1680 | 64487400 |
Diarrhoea | 77.43 | 21.65 | 260 | 9392 | 722444 | 63766636 |
Hyperprolactinaemia | 68.54 | 21.65 | 25 | 9627 | 4040 | 64485040 |
Constipation | 66.18 | 21.65 | 121 | 9531 | 229216 | 64259864 |
Abdominal pain | 55.33 | 21.65 | 135 | 9517 | 312240 | 64176840 |
Mouth ulceration | 49.27 | 21.65 | 40 | 9612 | 32404 | 64456676 |
Lacrimation increased | 46.93 | 21.65 | 31 | 9621 | 18315 | 64470765 |
Metastases to peritoneum | 45.97 | 21.65 | 18 | 9634 | 3529 | 64485551 |
Secondary adrenocortical insufficiency | 45.48 | 21.65 | 16 | 9636 | 2329 | 64486751 |
Neuropathy peripheral | 40.33 | 21.65 | 67 | 9585 | 117458 | 64371622 |
Rectal cancer metastatic | 40.10 | 21.65 | 10 | 9642 | 439 | 64488641 |
Perforation | 39.14 | 21.65 | 12 | 9640 | 1136 | 64487944 |
Nail dystrophy | 38.68 | 21.65 | 11 | 9641 | 802 | 64488278 |
Ejection fraction decreased | 38.62 | 21.65 | 33 | 9619 | 28674 | 64460406 |
Dystonia | 36.82 | 21.65 | 27 | 9625 | 18838 | 64470242 |
Hypomagnesaemia | 36.67 | 21.65 | 36 | 9616 | 37340 | 64451740 |
Liver function test abnormal | 35.33 | 21.65 | 44 | 9608 | 59357 | 64429723 |
Febrile neutropenia | 35.19 | 21.65 | 83 | 9569 | 187574 | 64301506 |
Vaginal discharge | 33.94 | 21.65 | 15 | 9637 | 3982 | 64485098 |
Drug ineffective | 32.81 | 21.65 | 47 | 9605 | 840200 | 63648880 |
Lethargy | 32.77 | 21.65 | 47 | 9605 | 72547 | 64416533 |
Metastases to lymph nodes | 30.56 | 21.65 | 18 | 9634 | 8699 | 64480381 |
Abnormal loss of weight | 30.55 | 21.65 | 17 | 9635 | 7383 | 64481697 |
Nail infection | 29.80 | 21.65 | 11 | 9641 | 1836 | 64487244 |
Hypokalaemia | 29.77 | 21.65 | 60 | 9592 | 121843 | 64367237 |
Pyrexia | 29.77 | 21.65 | 163 | 9489 | 558481 | 63930599 |
Anaphylactic reaction | 28.88 | 21.65 | 43 | 9609 | 68621 | 64420459 |
Bruxism | 28.85 | 21.65 | 13 | 9639 | 3611 | 64485469 |
Poor peripheral circulation | 27.14 | 21.65 | 12 | 9640 | 3188 | 64485892 |
Axillary pain | 26.79 | 21.65 | 10 | 9642 | 1722 | 64487358 |
Acquired cystic kidney disease | 26.46 | 21.65 | 5 | 9647 | 57 | 64489023 |
Bone pain | 26.32 | 21.65 | 34 | 9618 | 47538 | 64441542 |
Genital rash | 25.09 | 21.65 | 8 | 9644 | 861 | 64488219 |
Petit mal epilepsy | 24.79 | 21.65 | 13 | 9639 | 5019 | 64484061 |
Sepsis | 24.53 | 21.65 | 83 | 9569 | 230258 | 64258822 |
Naevus haemorrhage | 23.69 | 21.65 | 5 | 9647 | 103 | 64488977 |
Drug hypersensitivity | 22.90 | 21.65 | 4 | 9648 | 237811 | 64251269 |
Pancreatitis chronic | 22.77 | 21.65 | 11 | 9641 | 3575 | 64485505 |
Adrenal insufficiency | 22.69 | 21.65 | 22 | 9630 | 22465 | 64466615 |
Palpitations | 22.66 | 21.65 | 49 | 9603 | 104439 | 64384641 |
Excessive eye blinking | 22.17 | 21.65 | 8 | 9644 | 1252 | 64487828 |
Ascites | 22.13 | 21.65 | 36 | 9616 | 61965 | 64427115 |
Muscle twitching | 21.88 | 21.65 | 20 | 9632 | 18978 | 64470102 |
Tubulointerstitial nephritis | 21.83 | 21.65 | 25 | 9627 | 30884 | 64458196 |
None
Source | Code | Description |
---|---|---|
ATC | R06AE03 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Piperazine derivatives |
ATC | R06AE53 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Piperazine derivatives |
CHEBI has role | CHEBI:35488 | central nervous system depressants |
CHEBI has role | CHEBI:36333 | local anesthetics |
CHEBI has role | CHEBI:37955 | H1 receptor antagonists |
CHEBI has role | CHEBI:48873 | acetylcholine receptor antagonist |
CHEBI has role | CHEBI:50919 | antiemetico |
MeSH PA | D000932 | Antiemetics |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D005765 | Gastrointestinal Agents |
MeSH PA | D018494 | Histamine Agents |
MeSH PA | D006633 | Histamine Antagonists |
MeSH PA | D006634 | Histamine H1 Antagonists |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Vasomotor rhinitis | indication | 8229003 | DOID:4730 |
Motion sickness | indication | 37031009 | DOID:2951 |
Cough | indication | 49727002 | |
Allergic rhinitis | indication | 61582004 | |
Nasal discharge | indication | 64531003 | |
Nasal congestion | indication | 68235000 | |
Sneezing | indication | 76067001 | |
Common cold | indication | 82272006 | DOID:10459 |
Seasonal allergic rhinitis | indication | 367498001 | |
Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
Ocular hypertension | contraindication | 4210003 | DOID:9282 |
Dependent drug abuse | contraindication | 6525002 | |
Peptic ulcer | contraindication | 13200003 | DOID:750 |
Chronic disease of respiratory system | contraindication | 17097001 | |
Mood swings | contraindication | 18963009 | |
Myocardial infarction | contraindication | 22298006 | DOID:5844 |
Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
Ventricular tachycardia | contraindication | 25569003 | |
Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
Acute hepatitis | contraindication | 37871000 | |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
Hypothyroidism | contraindication | 40930008 | DOID:1459 |
Conduction disorder of the heart | contraindication | 44808001 | |
Low blood pressure | contraindication | 45007003 | |
Chronic heart failure | contraindication | 48447003 | |
Bradycardia | contraindication | 48867003 | |
Acidosis | contraindication | 51387008 | |
Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
Arterial thrombosis | contraindication | 65198009 | |
Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
Substance abuse | contraindication | 66214007 | |
Benign intracranial hypertension | contraindication | 68267002 | DOID:11459 |
Arteriosclerotic vascular disease | contraindication | 72092001 | |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Urethral stricture | contraindication | 76618002 | |
Decreased respiratory function | contraindication | 80954004 | |
Injury of head | contraindication | 82271004 | |
Chronic idiopathic constipation | contraindication | 82934008 | |
Epilepsy | contraindication | 84757009 | DOID:1826 |
Kidney disease | contraindication | 90708001 | DOID:557 |
Acute abdominal pain | contraindication | 116290004 | |
Procedure on urinary system | contraindication | 118677009 | |
Partial atrioventricular block | contraindication | 195039008 | |
Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
Disease of liver | contraindication | 235856003 | DOID:409 |
Bladder outflow obstruction | contraindication | 236645006 | |
Telangiectasia disorder | contraindication | 247479008 | |
Benign prostatic hyperplasia | contraindication | 266569009 | |
Retention of urine | contraindication | 267064002 | |
Lesion of brain | contraindication | 301766008 | |
Primary adrenocortical insufficiency | contraindication | 373662000 | |
Adrenal cortical hypofunction | contraindication | 386584007 | DOID:10493 |
Operation on gastrointestinal tract | contraindication | 386621005 | |
Hypoxia | contraindication | 389086002 | |
Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
Pseudomembranous enterocolitis | contraindication | 397683000 | |
Atrophoderma | contraindication | 399979006 | |
Peripheral vascular disease | contraindication | 400047006 | |
Disorder of coronary artery | contraindication | 414024009 | |
Central nervous system depression | contraindication | 418072004 | |
Ultrarapid metabolizer due to cytochrome p450 CYP2D6 variant | contraindication | 422681000 | |
Dysfunction of sphincter of Oddi | contraindication | 430887001 | |
Hypertensive urgency | contraindication | 443482000 | |
Acute exacerbation of asthma | contraindication | 708038006 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.19 | Basic |
pKa2 | 3.88 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Histamine H1 receptor | GPCR | ANTAGONIST | Ki | 8.35 | DRUG MATRIX | CHEMBL | |||
5-hydroxytryptamine receptor 2A | GPCR | Ki | 7.19 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.62 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.27 | DRUG MATRIX | |||||
D(3) dopamine receptor | GPCR | Ki | 5.99 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M1 | GPCR | Ki | 6.79 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.39 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M3 | GPCR | Ki | 6.80 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M4 | GPCR | Ki | 6.92 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M5 | GPCR | Ki | 6.34 | DRUG MATRIX | |||||
Sodium-dependent dopamine transporter | Transporter | Ki | 6.22 | DRUG MATRIX | |||||
Cytochrome P450 2D6 | Enzyme | IC50 | 5.21 | DRUG MATRIX | |||||
Alpha-1D adrenergic receptor | GPCR | Ki | 6.22 | DRUG MATRIX | |||||
Amine oxidase [flavin-containing] B | Enzyme | WOMBAT-PK | |||||||
Alpha-2A adrenergic receptor | GPCR | Ki | 6.24 | DRUG MATRIX | |||||
Alpha-1B adrenergic receptor | GPCR | Ki | 5.86 | DRUG MATRIX |
ID | Source |
---|---|
4019698 | VUID |
N0000147790 | NUI |
D02090 | KEGG_DRUG |
303-25-3 | SECONDARY_CAS_RN |
5897-19-8 | SECONDARY_CAS_RN |
155017 | RXNORM |
4018771 | VANDF |
4018772 | VANDF |
4019698 | VANDF |
C0010547 | UMLSCUI |
CHEBI:3994 | CHEBI |
CHEMBL648 | ChEMBL_ID |
CHEMBL1200497 | ChEMBL_ID |
DB01176 | DRUGBANK_ID |
CHEMBL1324714 | ChEMBL_ID |
D003501 | MESH_DESCRIPTOR_UI |
6726 | PUBCHEM_CID |
7151 | IUPHAR_LIGAND_ID |
176 | INN_ID |
QRW9FCR9P2 | UNII |
10014 | MMSL |
4516 | MMSL |
d00858 | MMSL |
003395 | NDDF |
003396 | NDDF |
003397 | NDDF |
10133003 | SNOMEDCT_US |
387491004 | SNOMEDCT_US |
396008000 | SNOMEDCT_US |
85354008 | SNOMEDCT_US |
None