Stem definition | Drug id | CAS RN |
---|---|---|
quinoline derivatives | 186 | 86-42-0 |
Dose | Unit | Route |
---|---|---|
0.50 | g | O |
Property | Value | Reference |
---|---|---|
BA (Bioavailability) | 75 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 17.40 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 217 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.10 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 0.02 mg/mL | Bocci G, Oprea TI, Benet LZ |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | PARKE DAVIS |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | P01BA06 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS ANTIMALARIALS Aminoquinolines |
ATC | P01BF03 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS ANTIMALARIALS Artemisinin and derivatives, combinations |
CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
CHEBI has role | CHEBI:38068 | antimalarials |
CHEBI has role | CHEBI:50266 | Prodrugs |
CHEBI has role | CHEBI:88188 | allergenic drug |
CHEBI has role | CHEBI:110725 | histamine 1-methyltransferase inhibitor |
CHEBI has role | CHEBI:149553 | anticoronaviral drug |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000962 | Antimalarials |
MeSH PA | D000977 | Antiparasitic Agents |
MeSH PA | D000981 | Antiprotozoal Agents |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 5.85 | acidic |
pKa2 | 12.0 | Basic |
pKa3 | 6.97 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 5.62 | CHEMBL | |||||
Histamine N-methyltransferase | Enzyme | Ki | 7.72 | CHEMBL | |||||
Heparanase | Enzyme | Kd | 4.28 | CHEMBL | |||||
Amyloid beta A4 protein | Unclassified | IC50 | 5.40 | CHEMBL | |||||
Nuclear receptor subfamily 4 group A member 2 | Nuclear other | EC50 | 4.44 | CHEMBL |
ID | Source |
---|---|
4019610 | VUID |
N0000147704 | NUI |
D02466 | KEGG_DRUG |
314495 | RXNORM |
C0002641 | UMLSCUI |
CHEBI:2674 | CHEBI |
CQA | PDB_CHEM_ID |
CHEMBL682 | ChEMBL_ID |
DB00613 | DRUGBANK_ID |
CHEMBL1357648 | ChEMBL_ID |
D000655 | MESH_DESCRIPTOR_UI |
2165 | PUBCHEM_CID |
10018 | IUPHAR_LIGAND_ID |
1116 | INN_ID |
6398-98-7 | SECONDARY_CAS_RN |
220236ED28 | UNII |
387352008 | SNOMEDCT_US |
391768005 | SNOMEDCT_US |
64115004 | SNOMEDCT_US |
CHEMBL1630 | ChEMBL_ID |
4019272 | VANDF |
4019610 | VANDF |
002947 | NDDF |
004872 | NDDF |
None