Stem definition | Drug id | CAS RN |
---|---|---|
1089 | 452-35-7 |
None
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 55.30 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 65 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
S (Water solubility) | 0.06 mg/mL | Bocci G, Oprea TI, Benet LZ |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | PHARMACIA AND UPJOHN |
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D002257 | Carbonic Anhydrase Inhibitors |
MeSH PA | D004232 | Diuretics |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D045283 | Natriuretic Agents |
CHEBI has role | CHEBI:23018 | EC 4.2.1.1 inhibitor |
CHEBI has role | CHEBI:35498 | diuretics |
CHEBI has role | CHEBI:39456 | antiglaucoma agent |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.04 | acidic |
pKa2 | 2.33 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 | Enzyme | INHIBITOR | Ki | 9.31 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 1 | Enzyme | INHIBITOR | Kd | 7.85 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 4 | Enzyme | INHIBITOR | Ki | 7.03 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 9 | Enzyme | INHIBITOR | Ki | 7.47 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 12 | Enzyme | INHIBITOR | Ki | 7.66 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 5A, mitochondrial | Enzyme | INHIBITOR | Ki | 7.60 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 5B, mitochondrial | Enzyme | INHIBITOR | Ki | 7.72 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 7 | Enzyme | INHIBITOR | Kd | 9.15 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 3 | Enzyme | INHIBITOR | Ki | 5.30 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 6 | Enzyme | INHIBITOR | Kd | 7.48 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 14 | Enzyme | INHIBITOR | Ki | 8.60 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 13 | Enzyme | INHIBITOR | Kd | 7.89 | CHEMBL | CHEMBL | |||
Carbonic anhydrase V | Enzyme | INHIBITOR | Ki | 8.70 | CHEMBL | CHEMBL | |||
Carbonic anhydrase 4 | Enzyme | Ki | 7.89 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.70 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 5.27 | CHEMBL | |||||
Carbonic anhydrase, alpha family | Unclassified | Ki | 8.39 | CHEMBL | |||||
Carbonic anhydrase 15 | Enzyme | Ki | 7.24 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 7.01 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 8.10 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 5.51 | CHEMBL | |||||
Alpha carbonic anhydrase | Enzyme | Ki | 7.40 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.98 | CHEMBL | |||||
Carbonic anhydrase 2 | Enzyme | Ki | 7.06 | CHEMBL | |||||
Astrosclerin-3 | Enzyme | Ki | 6.41 | CHEMBL | |||||
Beta-carbonic anhydrase 1 | Enzyme | Ki | 5.99 | CHEMBL | |||||
Delta carbonic anhydrase | Unclassified | Ki | 7.07 | CHEMBL | |||||
Carbonic anhydrase 2 | Enzyme | Ki | 7.57 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.81 | CHEMBL | |||||
Carbonate dehydratase | Enzyme | Ki | 8.03 | CHEMBL | |||||
Carbonic anhydrase 3 | Enzyme | Ki | 5.02 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.73 | CHEMBL | |||||
Carbonic anhydrase 13 | Enzyme | Ki | 7.30 | CHEMBL |
ID | Source |
---|---|
C0015052 | UMLSCUI |
CHEBI:101096 | CHEBI |
EZL | PDB_CHEM_ID |
CHEMBL18 | ChEMBL_ID |
DB00311 | DRUGBANK_ID |
D005016 | MESH_DESCRIPTOR_UI |
3295 | PUBCHEM_CID |
6814 | IUPHAR_LIGAND_ID |
Z52H4811WX | UNII |
002290 | NDDF |
63203003 | SNOMEDCT_US |
None