5-(1H-Benzo[d]imidazol-5-yl)-1,3,4-thiadiazol-2-amine

ID: ALA5174441

Chembl Id: CHEMBL5174441

PubChem CID: 83640713

Max Phase: Preclinical

Molecular Formula: C9H7N5S

Molecular Weight: 217.26

Associated Items:

Names and Identifiers

Canonical SMILES:  Nc1nnc(-c2ccc3[nH]cnc3c2)s1

Standard InChI:  InChI=1S/C9H7N5S/c10-9-14-13-8(15-9)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H2,10,14)(H,11,12)

Standard InChI Key:  FFSPXJVZHWCWSI-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

QPCTL Tchem Glutaminyl-peptide cyclotransferase-like protein (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 217.26Molecular Weight (Monoisotopic): 217.0422AlogP: 1.66#Rotatable Bonds: 1
Polar Surface Area: 80.48Molecular Species: NEUTRALHBA: 5HBD: 2
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 11.68CX Basic pKa: 5.53CX LogP: 0.91CX LogD: 0.91
Aromatic Rings: 3Heavy Atoms: 15QED Weighted: 0.65Np Likeness Score: -1.95

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]

Source