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Compound Detail

CHEMBL1325638

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CCCSc1n[nH]c(NC(C)=O)n1

Basic Information

ChEMBL ID CHEMBL1325638
Phase Preclinical
Structure Type MOL
InChI Key QURASSNYVOMDDW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
1.27
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N4OS
MW 200.27
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -2.25

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
IC50 6.35 6.35 449.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine