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Compound Detail

CHEMBL1491188

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O=C(O)CSc1nc[nH]n1

Basic Information

ChEMBL ID CHEMBL1491188
Phase Preclinical
Structure Type MOL
InChI Key ZENBUDIZSYJIIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
-0.02
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H5N3O2S
MW 159.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aspartyl aminopeptidase
CHEMBL1293263
IC50 6.7 6.7 201.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aspartyl aminopeptidase IC50 = 201.7 nM 6.7 PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine