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ID: ALA3681383
Max Phase: Preclinical
Molecular Formula: C23H26ClN5O
Molecular Weight: 423.95
Molecule Type: Small molecule
Associated Items:
ID: ALA3681383
Max Phase: Preclinical
Molecular Formula: C23H26ClN5O
Molecular Weight: 423.95
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(-c3cccnc3)cc2C)CC1
Standard InChI: InChI=1S/C23H26ClN5O/c1-15-10-22(18-4-3-9-25-12-18)28-29(15)14-17-5-7-20(8-6-17)27-23(30)21-11-19(24)13-26-16(21)2/h3-4,9-13,17,20H,5-8,14H2,1-2H3,(H,27,30)/t17-,20-
Standard InChI Key: FAZYIPVDSLLNSX-IRJFHVNHSA-N
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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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 423.95 | Molecular Weight (Monoisotopic): 423.1826 | AlogP: 4.60 | #Rotatable Bonds: 5 |
Polar Surface Area: 72.70 | 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: 4.21 | CX LogP: 3.23 | CX LogD: 3.23 |
Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.65 | Np Likeness Score: -2.02 |
1. (2014) Cyclohexyl amide derivatives as CRF receptor antagonists, |
Source(1):