| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3727810
Max Phase: Preclinical
Molecular Formula: C25H30ClN3O2
Molecular Weight: 439.99
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1C(C)(C)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cnc2C)CC1
Standard InChI: InChI=1S/C25H30ClN3O2/c1-15-6-5-7-21-22(15)25(3,4)24(31)29(21)14-17-8-10-19(11-9-17)28-23(30)20-12-18(26)13-27-16(20)2/h5-7,12-13,17,19H,8-11,14H2,1-4H3,(H,28,30)/t17-,19-
Standard InChI Key: SFKMNPGMVSBQBH-UAPYVXQJSA-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: 439.99 | Molecular Weight (Monoisotopic): 439.2027 | AlogP: 4.96 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.30 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.97 | CX Basic pKa: 2.68 | CX LogP: 4.36 | CX LogD: 4.36 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.73 | Np Likeness Score: -1.05 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):