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Compound Detail

CHEMBL3183210

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Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1

Basic Information

ChEMBL ID CHEMBL3183210
Phase Preclinical
Structure Type MOL
InChI Key RBCPBVNYTIFDIR-RIYZIHGNSA-N
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.20
ALogP
6
HBA
0
HBD
73.3
PSA (Ų)
0.42
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 C13H10N4O2S
MW 286.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.31

Activity Summary

EC50 5 meas. best 5.62
IC50 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.8 5.8 1580.0 1
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.67 5.67 2140.0 1
Streptokinase A
CHEMBL1293228
EC50 5.62 5.62 2391.0 1
Unchecked
CHEMBL612545
EC50 5.61 5.52 2469.0 2
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.44 5.44 3630.0 1
Streptococcus
CHEMBL612313
EC50 4.97 4.97 10675.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine