| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732415
Max Phase: Preclinical
Molecular Formula: C25H29ClFN3O2
Molecular Weight: 457.98
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2c(cc1C)C(C)(F)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cnc2C)CC1
Standard InChI: InChI=1S/C25H29ClFN3O2/c1-14-9-21-22(10-15(14)2)30(24(32)25(21,4)27)13-17-5-7-19(8-6-17)29-23(31)20-11-18(26)12-28-16(20)3/h9-12,17,19H,5-8,13H2,1-4H3,(H,29,31)/t17-,19-,25?
Standard InChI Key: PHUJLCDWLLJDKH-UPNAAVACSA-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: 457.98 | Molecular Weight (Monoisotopic): 457.1932 | AlogP: 5.18 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.30 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.97 | CX Basic pKa: 2.68 | CX LogP: 4.38 | CX LogD: 4.38 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.69 | Np Likeness Score: -1.06 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
| 2. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):