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Corallorazine A ID: ALA3103610
Chembl Id: CHEMBL3103610
PubChem CID: 76331948
Max Phase: Preclinical
Molecular Formula: C15H22N2O3
Molecular Weight: 278.35
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: C=C1C(=O)N(C)CC(O)N1C(=O)/C=C/C=C\CC(C)C
Standard InChI: InChI=1S/C15H22N2O3/c1-11(2)8-6-5-7-9-13(18)17-12(3)15(20)16(4)10-14(17)19/h5-7,9,11,14,19H,3,8,10H2,1-2,4H3/b6-5-,9-7+
Standard InChI Key: CRDXJANTTRAPQL-BZWSEGBZSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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
Calculated Properties Molecular Weight: 278.35Molecular Weight (Monoisotopic): 278.1630AlogP: 1.28#Rotatable Bonds: 4Polar Surface Area: 60.85Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 13.05CX Basic pKa: CX LogP: 1.37CX LogD: 1.37Aromatic Rings: 0Heavy Atoms: 20QED Weighted: 0.62Np Likeness Score: 1.73
References 1. Schmitz A, Kehraus S, Schäberle TF, Neu E, Almeida C, Roth M, König GM.. (2014) Corallorazines from the myxobacterium Corallococcus coralloides., 77 (1): [PMID:24422674 ] [10.1021/np400740u ]
