| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3730045
Max Phase: Preclinical
Molecular Formula: C22H21Cl2F2N3O2
Molecular Weight: 468.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1
Standard InChI: InChI=1S/C22H21Cl2F2N3O2/c1-12-17(8-15(24)10-27-12)20(30)28-16-5-2-13(3-6-16)11-29-19-9-14(23)4-7-18(19)22(25,26)21(29)31/h4,7-10,13,16H,2-3,5-6,11H2,1H3,(H,28,30)/t13-,16-
Standard InChI Key: FSPUCNMCLSWKHA-SAZUREKKSA-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: 468.33 | Molecular Weight (Monoisotopic): 467.0979 | AlogP: 5.12 | #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: 4.12 | CX LogD: 4.12 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.68 | Np Likeness Score: -1.18 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):