The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-[4-(3-Iodo-5-methyl-acridin-9-ylamino)-phenyl]-methanesulfonamide ID: ALA322699
Chembl Id: CHEMBL322699
PubChem CID: 12339967
Max Phase: Preclinical
Molecular Formula: C21H18IN3O2S
Molecular Weight: 503.37
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(I)cc3nc12
Standard InChI: InChI=1S/C21H18IN3O2S/c1-13-4-3-5-18-20(13)24-19-12-14(22)6-11-17(19)21(18)23-15-7-9-16(10-8-15)25-28(2,26)27/h3-12,25H,1-2H3,(H,23,24)
Standard InChI Key: GAMHSNVCSOOJGV-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: 503.37Molecular Weight (Monoisotopic): 503.0164AlogP: 5.42#Rotatable Bonds: 4Polar Surface Area: 71.09Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 2HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): 2CX Acidic pKa: 11.40CX Basic pKa: 7.76CX LogP: 4.76CX LogD: 4.27Aromatic Rings: 4Heavy Atoms: 28QED Weighted: 0.29Np Likeness Score: -1.42
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 ]