Stem definition | Drug id | CAS RN |
---|---|---|
antibiotics, 6-aminopenicillanic acid derivatives | 1795 | 51481-65-3 |
Dose | Unit | Route |
---|---|---|
6 | g | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 45 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 555.98 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Vd (Volume of distribution) | 0.09 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 2.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.70 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1.20 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Sept. 21, 1981 | FDA |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | J01CA10 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Penicillins with extended spectrum |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Bacterial septicemia | indication | 10001005 | DOID:0040085 |
Gonorrhea | indication | 15628003 | DOID:7551 |
Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
Acute gonococcal cervicitis | indication | 20943002 | DOID:10615 |
Acute gonococcal urethritis | indication | 29864006 | |
Pneumonia due to Pseudomonas | indication | 41381004 | |
Pneumonia due to Escherichia coli | indication | 51530003 | |
Acute gonococcal endometritis | indication | 65295003 | DOID:7527 |
Urinary tract infectious disease | indication | 68566005 | |
Haemophilus influenzae pneumonia | indication | 70036007 | |
Bacterial infection due to Serratia | indication | 71120004 | |
Infectious disease of abdomen | indication | 128070006 | |
Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
Aspiration pneumonia | indication | 422588002 | DOID:3240 |
Enterobacter Pneumonia | indication | ||
Genitourinary Tract Infections | indication | ||
Cholangitis | off-label use | 82403002 | DOID:9446 |
Infection of bone | off-label use | 111253001 | |
Escherichia coli meningitis | off-label use | 192655005 | |
Infectious disorder of joint | off-label use | 363162000 | |
Abscess of brain | off-label use | 441806004 | |
Pseudomonas Aeruginosa Meningitis | off-label use | ||
Kidney disease | contraindication | 90708001 | DOID:557 |
Infectious mononucleosis | contraindication | 271558008 | DOID:8568 |
Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.79 | acidic |
pKa2 | 11.8 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cannabinoid receptor 1 | GPCR | IC50 | 4 | WOMBAT-PK | |||||
Prostaglandin G/H synthase 1 | Enzyme | Ki | 6.41 | WOMBAT-PK | |||||
Cytochrome P450 3A4 | Enzyme | IC50 | 5.17 | WOMBAT-PK | |||||
Prostaglandin E2 receptor EP1 subtype | GPCR | Ki | 4.33 | WOMBAT-PK | |||||
Adenosine receptor A3 | GPCR | IC50 | 4.89 | WOMBAT-PK | |||||
Carbonic anhydrase 2 | Enzyme | IC50 | 5 | WOMBAT-PK | |||||
Multidrug resistance-associated protein 1 | Transporter | IC50 | 4.92 | WOMBAT-PK | |||||
Cytochrome P450 2C8 | Enzyme | IC50 | 6.74 | WOMBAT-PK | |||||
Prostaglandin D2 receptor 2 | GPCR | Ki | 6.26 | WOMBAT-PK | |||||
Cytochrome P450 2C9 | Enzyme | IC50 | 4.72 | WOMBAT-PK | |||||
Aldose reductase | Enzyme | IC50 | 5.34 | WOMBAT-PK | |||||
Prostaglandin E2 receptor EP3 subtype | GPCR | Ki | 4.33 | WOMBAT-PK | |||||
Prostaglandin G/H synthase 2 | Enzyme | Ki | 6.22 | WOMBAT-PK | |||||
Arachidonate 5-lipoxygenase | Enzyme | IC50 | 4.01 | WOMBAT-PK | |||||
Peroxisome proliferator-activated receptor gamma | Nuclear hormone receptor | IC50 | 4.30 | WOMBAT-PK | |||||
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | Enzyme | IC50 | 5.13 | WOMBAT-PK | |||||
Prostaglandin E2 receptor EP2 subtype | GPCR | Ki | 6.68 | WOMBAT-PK | |||||
Prostaglandin E2 receptor EP4 subtype | GPCR | Ki | 4.33 | WOMBAT-PK | |||||
Prostaglandin D2 receptor | GPCR | Ki | 4.92 | WOMBAT-PK | |||||
Cannabinoid receptor 2 | GPCR | Ki | 4.20 | WOMBAT-PK | |||||
Thromboxane-A synthase | Enzyme | IC50 | 5.25 | WOMBAT-PK | |||||
Serum albumin | Secreted | Ki | 4.18 | WOMBAT-PK | |||||
Interleukin-8 | Cytokine | IC50 | 7.30 | WOMBAT-PK | |||||
Interleukin-1 receptor type 1 | Membrane receptor | IC50 | 6.52 | WOMBAT-PK | |||||
Prostaglandin-H2 D-isomerase | Enzyme | IC50 | 6.30 | WOMBAT-PK | |||||
Aldo-keto reductase family 1 member C3 | Enzyme | Ki | 6.12 | WOMBAT-PK | |||||
Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
Penicillin-binding protein 1A | Enzyme | WOMBAT-PK |
ID | Source |
---|---|
4019838 | VUID |
N0000147926 | NUI |
D02221 | KEGG_DRUG |
80495-46-1 | SECONDARY_CAS_RN |
4018388 | VANDF |
4019838 | VANDF |
C0025893 | UMLSCUI |
CHEBI:6919 | CHEBI |
CHEMBL1731 | ChEMBL_ID |
CHEMBL1697708 | ChEMBL_ID |
D008802 | MESH_DESCRIPTOR_UI |
DB00948 | DRUGBANK_ID |
12272 | IUPHAR_LIGAND_ID |
3898 | INN_ID |
42057-22-7 | SECONDARY_CAS_RN |
OH2O403D1G | UNII |
656511 | PUBCHEM_CID |
6927 | RXNORM |
5110 | MMSL |
d00109 | MMSL |
002711 | NDDF |
004888 | NDDF |
15571002 | SNOMEDCT_US |
387446008 | SNOMEDCT_US |
78174002 | SNOMEDCT_US |
None