| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3731280
Max Phase: Preclinical
Molecular Formula: C23H27ClN4O2
Molecular Weight: 426.95
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21
Standard InChI: InChI=1S/C23H27ClN4O2/c1-3-27-20-6-4-5-7-21(20)28(23(27)30)14-16-8-10-18(11-9-16)26-22(29)19-12-17(24)13-25-15(19)2/h4-7,12-13,16,18H,3,8-11,14H2,1-2H3,(H,26,29)/t16-,18-
Standard InChI Key: FFMNQLRIMQJKNK-SAABIXHNSA-N
Associated Targets(Human)
Corticotropin releasing factor receptor 1 2996 Activities
Corticotropin releasing factor receptor 2 399 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 426.95 | Molecular Weight (Monoisotopic): 426.1823 | AlogP: 4.17 | #Rotatable Bonds: 5 |
| Polar Surface Area: 68.92 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.97 | CX Basic pKa: 2.68 | CX LogP: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.67 | Np Likeness Score: -1.56 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):