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DL-(E)-2,5-diamino-3-pentenoic acid ID: ALA3247544
Chembl Id: CHEMBL3247544
PubChem CID: 14163136
Max Phase: Preclinical
Molecular Formula: C5H10N2O2
Molecular Weight: 130.15
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NC/C=C/C(N)C(=O)O
Standard InChI: InChI=1S/C5H10N2O2/c6-3-1-2-4(7)5(8)9/h1-2,4H,3,6-7H2,(H,8,9)/b2-1+
Standard InChI Key: HCGJICGTMGKVIO-OWOJBTEDSA-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: 130.15Molecular Weight (Monoisotopic): 130.0742AlogP: -1.09#Rotatable Bonds: 3Polar Surface Area: 89.34Molecular Species: ZWITTERIONHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 5#RO5 Violations (Lipinski): ┄CX Acidic pKa: 2.50CX Basic pKa: 9.73CX LogP: -3.74CX LogD: -4.93Aromatic Rings: ┄Heavy Atoms: 9QED Weighted: 0.42Np Likeness Score: 0.77
References 1. Bey P, Danzin C, Van Dorsselaer V, Mamont P, Jung M, Tardif C.. (1978) Analogues of ornithine as inhibitors of ornithine decarboxylase. New deductions concerning the topography of the enzyme's active site., 21 (1): [PMID:619149 ] [10.1021/jm00199a009 ]