| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3681382
Max Phase: Preclinical
Molecular Formula: C24H26ClFN4O
Molecular Weight: 440.95
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@@H](Cn2nc(-c3ccc(F)cc3)cc2C)CC1
Standard InChI: InChI=1S/C24H26ClFN4O/c1-15-11-23(18-5-7-20(26)8-6-18)29-30(15)14-17-3-9-21(10-4-17)28-24(31)22-12-19(25)13-27-16(22)2/h5-8,11-13,17,21H,3-4,9-10,14H2,1-2H3,(H,28,31)/t17-,21+
Standard InChI Key: HDVKCZBTJPPTOY-UEDWGHLCSA-N
Associated Targets(Human)
Corticotropin releasing factor receptor 2 399 Activities
Corticotropin releasing factor receptor 1 2996 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 440.95 | Molecular Weight (Monoisotopic): 440.1779 | AlogP: 5.34 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.81 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.97 | CX Basic pKa: 2.93 | CX LogP: 4.59 | CX LogD: 4.59 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.58 | Np Likeness Score: -2.06 |
References
| 1. (2014) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):