| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3733118
Max Phase: Preclinical
Molecular Formula: C25H31ClN4O2
Molecular Weight: 455.00
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(CC(C)C)c3ccccc32)CC1
Standard InChI: InChI=1S/C25H31ClN4O2/c1-16(2)14-29-22-6-4-5-7-23(22)30(25(29)32)15-18-8-10-20(11-9-18)28-24(31)21-12-19(26)13-27-17(21)3/h4-7,12-13,16,18,20H,8-11,14-15H2,1-3H3,(H,28,31)/t18-,20-
Standard InChI Key: LSFVOPLRJHUUNQ-KESTWPANSA-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 |
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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 |
|---|
Properties
| Molecular Weight: 455.00 | Molecular Weight (Monoisotopic): 454.2136 | AlogP: 4.80 | #Rotatable Bonds: 6 |
| 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: 4.29 | CX LogD: 4.29 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.58 | Np Likeness Score: -1.46 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):