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-[7-(2-Cyano-ethylamino)-heptyl]-guanidine ID: ALA105574
Chembl Id: CHEMBL105574
Cas Number: 167276-68-8
PubChem CID: 45181
Max Phase: Preclinical
Molecular Formula: C9H20N4
Molecular Weight: 184.29
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: N=C(N)CCCCCCCC(=N)N
Standard InChI: InChI=1S/C9H20N4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H3,10,11)(H3,12,13)
Standard InChI Key: VXVSKFUJWKPOTA-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: 184.29Molecular Weight (Monoisotopic): 184.1688AlogP: 1.59#Rotatable Bonds: 8Polar Surface Area: 99.74Molecular Species: BASEHBA: 2HBD: 4#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 6#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: 13.18CX LogP: 0.35CX LogD: -4.48Aromatic Rings: ┄Heavy Atoms: 13QED Weighted: 0.26Np Likeness Score: 0.39
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 ]