| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3732721
Max Phase: Preclinical
Molecular Formula: C22H25ClN4O2
Molecular Weight: 412.92
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccccc32)CC1
Standard InChI: InChI=1S/C22H25ClN4O2/c1-14-18(11-16(23)12-24-14)21(28)25-17-9-7-15(8-10-17)13-27-20-6-4-3-5-19(20)26(2)22(27)29/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,25,28)/t15-,17-
Standard InChI Key: MCGINKGRHKIVAN-JCNLHEQBSA-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: 412.92 | Molecular Weight (Monoisotopic): 412.1666 | AlogP: 3.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.92 | Molecular Species: NEUTRAL | HBA: 5 | 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: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.71 | Np Likeness Score: -1.62 |
References
| 1. (2011) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source
Source(1):