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Compound Detail

CHEMBL1595587

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O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL1595587
Phase Preclinical
Structure Type MOL
InChI Key DHGKYAVUNXQKCS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
0.24
ALogP
7
HBA
4
HBD
184.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N4O8S
MW 408.35
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.81

Activity Summary

EC50 2 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.02 5.02 9516.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.91 4.91 12332.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine