| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729602
Max Phase: Preclinical
Molecular Formula: C25H30ClN3O3
Molecular Weight: 455.99
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1)N(C[C@H]1CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C2(C)C
Standard InChI: InChI=1S/C25H30ClN3O3/c1-15-20(11-17(26)13-27-15)23(30)28-18-7-5-16(6-8-18)14-29-22-12-19(32-4)9-10-21(22)25(2,3)24(29)31/h9-13,16,18H,5-8,14H2,1-4H3,(H,28,30)/t16-,18-
Standard InChI Key: LYUQTUCFDNXTIZ-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 |
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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: 455.99 | Molecular Weight (Monoisotopic): 455.1976 | AlogP: 4.67 | #Rotatable Bonds: 5 |
| Polar Surface Area: 71.53 | Molecular Species: NEUTRAL | HBA: 4 | 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: 3.69 | CX LogD: 3.69 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.71 | Np Likeness Score: -0.99 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):