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ethyl 2-(5-methylisoxazole-3-carboxamido)thiazole-4-carboxylate ID: ALA4440161
Chembl Id: CHEMBL4440161
Cas Number: 941991-01-1
PubChem CID: 16953671
Max Phase: Preclinical
Molecular Formula: C11H11N3O4S
Molecular Weight: 281.29
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)c1csc(NC(=O)c2cc(C)on2)n1
Standard InChI: InChI=1S/C11H11N3O4S/c1-3-17-10(16)8-5-19-11(12-8)13-9(15)7-4-6(2)18-14-7/h4-5H,3H2,1-2H3,(H,12,13,15)
Standard InChI Key: VZGLUVGOPLJHRK-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 281.29Molecular Weight (Monoisotopic): 281.0470AlogP: 1.87#Rotatable Bonds: 4Polar Surface Area: 94.32Molecular Species: NEUTRALHBA: 7HBD: 1#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.54CX Basic pKa: ┄CX LogP: 1.90CX LogD: 1.90Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.86Np Likeness Score: -2.77