| Stem definition | Drug id | CAS RN |
|---|---|---|
| cholecystokinine antagonists, antiulcer, anxiolytic agents | 834 | 119817-90-2 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 48 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.18 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.20 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.53 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
None
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.19 | acidic |
| pKa2 | 13.75 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | GPCR | IC50 | 6.89 | WOMBAT-PK |
| ID | Source |
|---|---|
| C0533979 | UMLSCUI |
| CHEBI:135747 | CHEBI |
| CHEMBL550781 | ChEMBL_ID |
| DB04856 | DRUGBANK_ID |
| C103490 | MESH_SUPPLEMENTAL_RECORD_UI |
| 889 | IUPHAR_LIGAND_ID |
| 6782 | INN_ID |
| 69DY40RH9B | UNII |
| 65937 | PUBCHEM_CID |
None