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.
2-((R)-1-Carbamimidoyl-piperidin-3-yl)-N-methyl-acetamide ID: ALA107570
Chembl Id: CHEMBL107570
PubChem CID: 11401362
Max Phase: Preclinical
Molecular Formula: C9H18N4O
Molecular Weight: 198.27
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CNC(=O)C[C@H]1CCCN(C(=N)N)C1
Standard InChI: InChI=1S/C9H18N4O/c1-12-8(14)5-7-3-2-4-13(6-7)9(10)11/h7H,2-6H2,1H3,(H3,10,11)(H,12,14)/t7-/m1/s1
Standard InChI Key: MRADEWHTWCHGDS-SSDOTTSWSA-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: 198.27Molecular Weight (Monoisotopic): 198.1481AlogP: -0.27#Rotatable Bonds: 2Polar Surface Area: 82.21Molecular Species: BASEHBA: 2HBD: 3#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 12.61CX LogP: -0.94CX LogD: -3.36Aromatic Rings: ┄Heavy Atoms: 14QED Weighted: 0.42Np Likeness Score: -0.70
References 1. Raimundo BC, Oslob JD, Braisted AC, Hyde J, McDowell RS, Randal M, Waal ND, Wilkinson J, Yu CH, Arkin MR.. (2004) Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions., 47 (12): [PMID:15163192 ] [10.1021/jm049967u ]