| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3727391
Max Phase: Preclinical
Molecular Formula: C26H28ClF3N2O2
Molecular Weight: 492.97
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1N(C[C@H]1CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C
Standard InChI: InChI=1S/C26H28ClF3N2O2/c1-15-5-4-6-20-22(15)32(24(34)25(20,2)3)14-16-7-10-18(11-8-16)31-23(33)19-13-17(26(28,29)30)9-12-21(19)27/h4-6,9,12-13,16,18H,7-8,10-11,14H2,1-3H3,(H,31,33)/t16-,18-
Standard InChI Key: CKABLAFSGQCWHF-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 492.97 | Molecular Weight (Monoisotopic): 492.1791 | AlogP: 6.28 | #Rotatable Bonds: 4 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.36 | CX Basic pKa: | CX LogP: 6.32 | CX LogD: 6.32 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.55 | Np Likeness Score: -1.23 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):