Stem definition | Drug id | CAS RN |
---|---|---|
quinoline derivatives | 174 | 3811-56-1 |
None
None
None
None
None
None
None
None
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 11.93 | acidic |
pKa2 | 12.51 | acidic |
pKa3 | 8.85 | Basic |
pKa4 | 8.25 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-9 | Enzyme | IC50 | 4 | CHEMBL | |||||
Interstitial collagenase | Enzyme | IC50 | 4.51 | CHEMBL | |||||
Lethal factor | Enzyme | Ki | 6.30 | CHEMBL | |||||
Botulinum neurotoxin type A | Enzyme | IC50 | 5.14 | CHEMBL |
ID | Source |
---|---|
17747 | RXNORM |
C0051675 | UMLSCUI |
NSC | PDB_CHEM_ID |
CHEMBL87223 | ChEMBL_ID |
DB04452 | DRUGBANK_ID |
C010850 | MESH_SUPPLEMENTAL_RECORD_UI |
71166 | PUBCHEM_CID |
63 | INN_ID |
08T7936572 | UNII |
006338 | NDDF |
None