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ID: ALA4524656
Max Phase: Preclinical
Molecular Formula: C26H38N4O
Molecular Weight: 422.62
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: CC(C)Cc1cc(C(=O)NCC2C3CN(CCC(C)(C)C)CC23)nn1-c1ccccc1
Standard InChI: InChI=1S/C26H38N4O/c1-18(2)13-20-14-24(28-30(20)19-9-7-6-8-10-19)25(31)27-15-21-22-16-29(17-23(21)22)12-11-26(3,4)5/h6-10,14,18,21-23H,11-13,15-17H2,1-5H3,(H,27,31)
Standard InChI Key: BTOCVKXISIRIDV-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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: 422.62Molecular Weight (Monoisotopic): 422.3046AlogP: 4.41#Rotatable Bonds: 8Polar Surface Area: 50.16Molecular Species: BASEHBA: 4HBD: 1#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 10.20CX LogP: 4.75CX LogD: 2.03Aromatic Rings: 2Heavy Atoms: 31QED Weighted: 0.69Np Likeness Score: -0.82
References 1. Kim JH, Nam G.. (2016) Synthesis and evaluation of 6-pyrazoylamido-3N-substituted azabicyclo[3,1,0]hexane derivatives as T-type calcium channel inhibitors for treatment of neuropathic pain., 24 (21): [PMID:27591007 ] [10.1016/j.bmc.2016.06.006 ]
