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ID: ALA4475999
Max Phase: Preclinical
Molecular Formula: C24H38N4O2
Molecular Weight: 414.59
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)C[C@H](O)CO
Standard InChI: InChI=1S/C24H38N4O2/c1-4-15-27(16-5-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-6-3)18-20(30)19-29/h7-14,20,23-24,29-30H,4-6,15-19H2,1-3H3/t20-,23+,24+/m0/s1
Standard InChI Key: ARIVZVAHCXZRND-TUACAJSNSA-N
Associated Targets(Human) Associated Targets(non-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: 414.59Molecular Weight (Monoisotopic): 414.2995AlogP: 3.45#Rotatable Bonds: 14Polar Surface Area: 72.72Molecular Species: BASEHBA: 6HBD: 2#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 14.00CX Basic pKa: 8.59CX LogP: 3.13CX LogD: 1.91Aromatic Rings: 2Heavy Atoms: 30QED Weighted: 0.49Np Likeness Score: -0.53
References 1. Kajanus J, Antonsson T, Carlsson L, Jurva U, Pettersen A, Sundell J, Inghardt T.. (2019) Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents., 29 (10): [PMID:30879840 ] [10.1016/j.bmcl.2019.03.006 ]
