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-(4-Amino-butylamino)-butyl]-guanidine ID: ALA103613
Chembl Id: CHEMBL103613
PubChem CID: 10397928
Max Phase: Preclinical
Molecular Formula: C9H23N5
Molecular Weight: 201.32
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NCCCCNCCCCN=C(N)N
Standard InChI: InChI=1S/C9H23N5/c10-5-1-2-6-13-7-3-4-8-14-9(11)12/h13H,1-8,10H2,(H4,11,12,14)
Standard InChI Key: UWMSMUFMGYNQGW-UHFFFAOYSA-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: 201.32Molecular Weight (Monoisotopic): 201.1953AlogP: -0.63#Rotatable Bonds: 9Polar Surface Area: 102.45Molecular Species: BASEHBA: 3HBD: 4#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 7#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: 11.82CX LogP: -1.02CX LogD: -8.80Aromatic Rings: ┄Heavy Atoms: 14QED Weighted: 0.23Np Likeness Score: 0.81
References 1. Lee YB, Park MH, Folk JE.. (1995) Diamine and triamine analogs and derivatives as inhibitors of deoxyhypusine synthase: synthesis and biological activity., 38 (16): [PMID:7636868 ] [10.1021/jm00016a008 ]