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(S)-4-Methylene-5-oxopyrrolidine-2-carboxylic acid ID: ALA5274462
Chembl Id: CHEMBL5274462
Max Phase: Preclinical
Molecular Formula: C6H7NO3
Molecular Weight: 141.13
Associated Items:
Names and Identifiers Canonical SMILES: C=C1C[C@@H](C(=O)O)NC1=O
Standard InChI: InChI=1S/C6H7NO3/c1-3-2-4(6(9)10)7-5(3)8/h4H,1-2H2,(H,7,8)(H,9,10)/t4-/m0/s1
Standard InChI Key: SKPUMUJWZJBTJG-BYPYZUCNSA-N
Associated Targets(Human) Molecule Features Natural Product: YesOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 141.13Molecular Weight (Monoisotopic): 141.0426AlogP: -0.48#Rotatable Bonds: 1Polar Surface Area: 66.40Molecular Species: ACIDHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.68CX Basic pKa: ┄CX LogP: -0.44CX LogD: -3.75Aromatic Rings: ┄Heavy Atoms: 10QED Weighted: 0.48Np Likeness Score: 1.24
References 1. Khan MIH, Mahdi F, Penfornis P, Akins NS, Hossain MI, Kim SJ, Sulochana SP, Adam AT, Tran TD, Tan C, Paolo Claudio P, Paris JJ, Le HV.. (2023) Synthesis and biological evaluation of tert-butyl ester and ethyl ester prodrugs of L-γ-methyleneglutamic acid amides for cancer., 78 [PMID:36603398 ] [10.1016/j.bmc.2022.117137 ]