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N-[4-(5-aminopentyl)phenyl]acridin-9-amine ID: ALA106103
Chembl Id: CHEMBL106103
PubChem CID: 44336882
Max Phase: Preclinical
Molecular Formula: C24H25N3
Molecular Weight: 355.49
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Standard InChI: InChI=1S/C24H25N3/c25-17-7-1-2-8-18-13-15-19(16-14-18)26-24-20-9-3-5-11-22(20)27-23-12-6-4-10-21(23)24/h3-6,9-16H,1-2,7-8,17,25H2,(H,26,27)
Standard InChI Key: GFFKPQFXNQATFR-UHFFFAOYSA-N
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: 355.49Molecular Weight (Monoisotopic): 355.2048AlogP: 5.80#Rotatable Bonds: 7Polar Surface Area: 50.94Molecular Species: BASEHBA: 3HBD: 2#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: 10.21CX LogP: 5.69CX LogD: 2.06Aromatic Rings: 4Heavy Atoms: 27QED Weighted: 0.33Np Likeness Score: -0.29
References 1. Denny WA, Cain BF, Atwell GJ, Hansch C, Panthananickal A, Leo A.. (1982) Potential antitumor agents. 36. Quantitative relationships between experimental antitumor activity, toxicity, and structure for the general class of 9-anilinoacridine antitumor agents., 25 (3): [PMID:7069706 ] [10.1021/jm00345a015 ]