Stem definition | Drug id | CAS RN |
---|---|---|
antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives | 512 | 154-93-8 |
None
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 3.80 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) | 0.55 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 11.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.20 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 78 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.23 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 0.37 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
March 7, 1977 | FDA | EMCURE PHARMS LTD |
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 |
---|---|---|---|---|---|---|
Myelodysplastic syndrome | 236.25 | 40.08 | 69 | 2646 | 16591 | 53329760 |
Malignant transformation | 141.48 | 40.08 | 23 | 2692 | 333 | 53346018 |
Brain oedema | 127.46 | 40.08 | 41 | 2674 | 13517 | 53332834 |
Febrile neutropenia | 113.65 | 40.08 | 69 | 2646 | 104867 | 53241484 |
Mucosal inflammation | 109.30 | 40.08 | 50 | 2665 | 42734 | 53303617 |
Acute myeloid leukaemia | 103.22 | 40.08 | 37 | 2678 | 16895 | 53329456 |
Stem cell transplant | 82.05 | 40.08 | 19 | 2696 | 1826 | 53344525 |
Second primary malignancy | 77.06 | 40.08 | 24 | 2691 | 7108 | 53339243 |
Pneumocephalus | 61.35 | 40.08 | 10 | 2705 | 147 | 53346204 |
Thrombocytopenia | 61.29 | 40.08 | 53 | 2662 | 138674 | 53207677 |
Enterococcal infection | 55.45 | 40.08 | 19 | 2696 | 7579 | 53338772 |
Haematotoxicity | 54.73 | 40.08 | 19 | 2696 | 7878 | 53338473 |
Venoocclusive disease | 54.70 | 40.08 | 14 | 2701 | 2041 | 53344310 |
Progressive multifocal leukoencephalopathy | 50.25 | 40.08 | 20 | 2695 | 12109 | 53334242 |
Intracranial hypotension | 47.95 | 40.08 | 9 | 2706 | 308 | 53346043 |
Chronic myelomonocytic leukaemia | 47.29 | 40.08 | 9 | 2706 | 332 | 53346019 |
Aplasia | 44.82 | 40.08 | 14 | 2701 | 4178 | 53342173 |
Cardiomyopathy acute | 44.31 | 40.08 | 8 | 2707 | 220 | 53346131 |
Bacteraemia | 42.24 | 40.08 | 19 | 2696 | 15530 | 53330821 |
Pneumocystis jirovecii pneumonia | 41.30 | 40.08 | 19 | 2696 | 16359 | 53329992 |
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 |
---|---|---|---|---|---|---|
Myelodysplastic syndrome | 335.55 | 31.25 | 124 | 5007 | 19914 | 32488481 |
Venoocclusive liver disease | 243.42 | 31.25 | 76 | 5055 | 7289 | 32501106 |
Malignant transformation | 224.35 | 31.25 | 46 | 5085 | 777 | 32507618 |
Acute myeloid leukaemia | 198.85 | 31.25 | 84 | 5047 | 19090 | 32489305 |
Febrile neutropenia | 164.96 | 31.25 | 142 | 4989 | 119424 | 32388971 |
Second primary malignancy | 127.22 | 31.25 | 46 | 5085 | 6895 | 32501500 |
Brain oedema | 125.08 | 31.25 | 54 | 5077 | 12906 | 32495489 |
Off label use | 119.00 | 31.25 | 189 | 4942 | 306131 | 32202264 |
Pneumocephalus | 114.19 | 31.25 | 19 | 5112 | 90 | 32508305 |
Blood stem cell transplant failure | 88.43 | 31.25 | 19 | 5112 | 405 | 32507990 |
Mucosal inflammation | 77.10 | 31.25 | 54 | 5077 | 33380 | 32475015 |
Basal cell carcinoma | 75.08 | 31.25 | 42 | 5089 | 17526 | 32490869 |
Venoocclusive disease | 72.83 | 31.25 | 24 | 5107 | 2722 | 32505673 |
Aspergillus infection | 70.29 | 31.25 | 35 | 5096 | 11539 | 32496856 |
Malignant neoplasm progression | 60.48 | 31.25 | 68 | 5063 | 78428 | 32429967 |
Myositis | 59.56 | 31.25 | 31 | 5100 | 11204 | 32497191 |
Febrile bone marrow aplasia | 58.76 | 31.25 | 28 | 5103 | 8387 | 32500008 |
Bronchopulmonary aspergillosis | 53.82 | 31.25 | 31 | 5100 | 13656 | 32494739 |
Transformation to acute myeloid leukaemia | 53.80 | 31.25 | 14 | 5117 | 692 | 32507703 |
Hepatic infection fungal | 53.77 | 31.25 | 11 | 5120 | 183 | 32508212 |
Stem cell transplant | 53.23 | 31.25 | 18 | 5113 | 2209 | 32506186 |
Product use in unapproved indication | 51.50 | 31.25 | 66 | 5065 | 87138 | 32421257 |
Neutropenic sepsis | 50.57 | 31.25 | 29 | 5102 | 12670 | 32495725 |
Diffuse large B-cell lymphoma | 49.63 | 31.25 | 25 | 5106 | 8437 | 32499958 |
Metastases to muscle | 46.63 | 31.25 | 10 | 5121 | 211 | 32508184 |
Metastases to retroperitoneum | 46.06 | 31.25 | 10 | 5121 | 224 | 32508171 |
Enteritis | 44.20 | 31.25 | 22 | 5109 | 7239 | 32501156 |
Human herpesvirus 8 infection | 42.17 | 31.25 | 12 | 5119 | 831 | 32507564 |
Metastases to spleen | 41.45 | 31.25 | 10 | 5121 | 362 | 32508033 |
Cytomegalovirus infection | 40.59 | 31.25 | 33 | 5098 | 25431 | 32482964 |
B-cell lymphoma recurrent | 40.21 | 31.25 | 11 | 5120 | 659 | 32507736 |
Cytopenia | 40.11 | 31.25 | 23 | 5108 | 10041 | 32498354 |
Expanded disability status scale score increased | 39.95 | 31.25 | 9 | 5122 | 240 | 32508155 |
Metastases to bone marrow | 38.10 | 31.25 | 10 | 5121 | 511 | 32507884 |
Intentional product use issue | 34.93 | 31.25 | 38 | 5093 | 42173 | 32466222 |
Intracranial hypotension | 33.78 | 31.25 | 8 | 5123 | 267 | 32508128 |
Staphylococcal infection | 33.69 | 31.25 | 33 | 5098 | 32406 | 32475989 |
Retinal haemorrhage | 32.90 | 31.25 | 16 | 5115 | 5005 | 32503390 |
Myelosuppression | 31.98 | 31.25 | 21 | 5110 | 11655 | 32496740 |
Source | Code | Description |
---|---|---|
ATC | L01AD01 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS ALKYLATING AGENTS Nitrosoureas |
FDA MoA | N0000000236 | Alkylating Activity |
FDA EPC | N0000175558 | Alkylating Drug |
CHEBI has role | CHEBI:35610 | cytostatic |
MeSH PA | D000477 | Alkylating Agents |
MeSH PA | D000970 | Antineoplastic Agents |
MeSH PA | D018906 | Antineoplastic Agents, Alkylating |
MeSH PA | D009676 | Noxae |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Glioma, malignant | indication | 74532006 | |
Diffuse non-Hodgkin's lymphoma, large cell | indication | 109969005 | |
Multiple myeloma | indication | 109989006 | DOID:9538 |
Hodgkin's disease | indication | 118599009 | |
Non-Hodgkin's lymphoma | indication | 118601006 | |
Glioblastoma multiforme of brain | indication | 276828006 | DOID:3073 |
Malignant neoplasm of brain | indication | 428061005 | DOID:1319 |
Astrocytoma, anaplastic | off-label use | 55353007 | DOID:3078 |
Allogeneic bone marrow transplantation | off-label use | 58390007 | |
Mycosis fungoides | off-label use | 118618005 | |
Cerebral edema | contraindication | 2032001 | |
Mycosis | contraindication | 3218000 | DOID:1564 |
Meningitis | contraindication | 7180009 | DOID:9471 |
Disorder of lung | contraindication | 19829001 | DOID:850 |
Retinal hemorrhage | contraindication | 28998008 | |
Viral disease | contraindication | 34014006 | DOID:934 |
Infectious disease | contraindication | 40733004 | |
Fibrosis of lung | contraindication | 51615001 | DOID:3770 |
Epilepsy | contraindication | 84757009 | DOID:1826 |
Leukopenia | contraindication | 84828003 | DOID:615 |
Bacterial infectious disease | contraindication | 87628006 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Acute leukemia, disease | contraindication | 91855006 | DOID:12603 |
Liver function tests abnormal | contraindication | 166603001 | |
Obstructive hydrocephalus | contraindication | 230746009 | DOID:14159 |
Disease of liver | contraindication | 235856003 | DOID:409 |
Anemia | contraindication | 271737000 | DOID:2355 |
Pregnancy, function | contraindication | 289908002 | |
Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
Bone marrow depression | contraindication | 307762000 | |
Breastfeeding (mother) | contraindication | 413712001 | |
Abscess of brain | contraindication | 441806004 | |
Protozoal Infection | contraindication | ||
Significant Bleeding | contraindication | ||
Pulmonary Infiltrates | contraindication |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 11.09 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Glutathione reductase, mitochondrial | Enzyme | INHIBITOR | IC50 | 5.09 | CHEMBL | CHEMBL |
ID | Source |
---|---|
4020993 | VUID |
N0000148463 | NUI |
D00254 | KEGG_DRUG |
C0007257 | UMLSCUI |
CHEBI:3423 | CHEBI |
CHEMBL513 | ChEMBL_ID |
DB00262 | DRUGBANK_ID |
D002330 | MESH_DESCRIPTOR_UI |
2578 | PUBCHEM_CID |
2959 | INN_ID |
6800 | IUPHAR_LIGAND_ID |
U68WG3173Y | UNII |
2105 | RXNORM |
251354 | MMSL |
4360 | MMSL |
d01342 | MMSL |
002640 | NDDF |
387281007 | SNOMEDCT_US |
51326002 | SNOMEDCT_US |
786790001 | SNOMEDCT_US |
4018136 | VANDF |
4020993 | VANDF |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Gliadel | HUMAN PRESCRIPTION DRUG LABEL | 1 | 24338-050 | WAFER | 7.70 mg | INTRACAVITARY | NDA | 25 sections |