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5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-amine ID: ALA5187305
Chembl Id: CHEMBL5187305
PubChem CID: 67091741
Max Phase: Preclinical
Molecular Formula: C9H7N5S
Molecular Weight: 217.26
Associated Items:
Names and Identifiers Canonical SMILES: Nc1nnc(-c2ccc3[nH]ncc3c2)s1
Standard InChI: InChI=1S/C9H7N5S/c10-9-14-13-8(15-9)5-1-2-7-6(3-5)4-11-12-7/h1-4H,(H2,10,14)(H,11,12)
Standard InChI Key: XLVRZABZGDKROM-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: 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: 217.26Molecular Weight (Monoisotopic): 217.0422AlogP: 1.66#Rotatable Bonds: 1Polar Surface Area: 80.48Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.31CX Basic pKa: 1.68CX LogP: 0.95CX LogD: 0.95Aromatic Rings: 3Heavy Atoms: 15QED Weighted: 0.65Np Likeness Score: -2.24
References 1. Park E, Song KH, Kim D, Lee M, Van Manh N, Kim H, Hong KB, Lee J, Song JY, Kang S.. (2022) 2-Amino-1,3,4-thiadiazoles as Glutaminyl Cyclases Inhibitors Increase Phagocytosis through Modification of CD47-SIRPα Checkpoint., 13 (9.0): [PMID:36105338 ] [10.1021/acsmedchemlett.2c00256 ]