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DL-2-Methyl-2,4-diaminobutyric Acid Hydrochloride ID: ALA3247541
Chembl Id: CHEMBL3247541
PubChem CID: 90672895
Max Phase: Preclinical
Molecular Formula: C5H13ClN2O2
Molecular Weight: 132.16
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(N)(CCN)C(=O)O.Cl
Standard InChI: InChI=1S/C5H12N2O2.ClH/c1-5(7,2-3-6)4(8)9;/h2-3,6-7H2,1H3,(H,8,9);1H
Standard InChI Key: FMNGXVBRZDFQKX-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: 132.16Molecular Weight (Monoisotopic): 132.0899AlogP: -0.86#Rotatable Bonds: 3Polar Surface Area: 89.34Molecular Species: ZWITTERIONHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 5#RO5 Violations (Lipinski): ┄CX Acidic pKa: 2.60CX Basic pKa: 10.00CX LogP: -3.59CX LogD: -4.32Aromatic Rings: ┄Heavy Atoms: 9QED Weighted: 0.47Np Likeness Score: 0.92
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 ]