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Compound Detail

CHEMBL1974063

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O=[N+]([O-])c1ccc(O)c(/N=C/c2sc3ccccc3c2O)c1

Basic Information

ChEMBL ID CHEMBL1974063
Phase Preclinical
Structure Type MOL
InChI Key MVYJADFDXIEEIL-LZYBPNLTSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
3.97
ALogP
6
HBA
2
HBD
96.0
PSA (Ų)
0.43
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 C15H10N2O4S
MW 314.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.34

Activity Summary

EC50 3 meas. best 5.53
IC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL4471
IC50 5.59 5.59 2570.0 1
Streptokinase A
CHEMBL1293228
EC50 5.53 5.53 2970.0 1
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.48 5.48 3280.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.28 5.28 5198.0 1
Streptococcus
CHEMBL612313
EC50 5.04 5.04 9076.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine