| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4581950
Max Phase: Preclinical
Molecular Formula: C25H27ClN4O
Molecular Weight: 434.97
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(c3ccccc3)C(C)C)c2n1C
Standard InChI: InChI=1S/C25H27ClN4O/c1-16(2)30(19-10-7-6-8-11-19)21-13-9-12-20-24(21)29(4)25(27-20)28-23-17(3)14-18(26)15-22(23)31-5/h6-16H,1-5H3,(H,27,28)
Standard InChI Key: PSCNOQYSUBQIGY-UHFFFAOYSA-N
Associated Targets(Human)
Corticotropin releasing factor receptor 1 2996 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 434.97 | Molecular Weight (Monoisotopic): 434.1873 | AlogP: 6.83 | #Rotatable Bonds: 6 |
| Polar Surface Area: 42.32 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.04 | CX LogP: 7.00 | CX LogD: 6.34 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.36 | Np Likeness Score: -1.16 |
References
| 1. Mochizuki M, Kori M, Kono M, Yano T, Sako Y, Tanaka M, Kanzaki N, Gyorkos AC, Corrette CP, Aso K.. (2016) Discovery of a 7-arylaminobenzimidazole series as novel CRF1 receptor antagonists., 24 (19): [PMID:27567079] [10.1016/j.bmc.2016.08.005] |
Source
Source(1):