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Compound Detail

CHEMBL1462208

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O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL1462208
Phase Preclinical
Structure Type MOL
InChI Key WVKJHQPQXZQYNS-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.8
MW (Da)
3.38
ALogP
7
HBA
0
HBD
86.7
PSA (Ų)
0.54
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 C13H8ClN5O2S
MW 333.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.76

Activity Summary

EC50 1 meas. best 4.58
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
EC50 4.58 4.58 26300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine