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Compound Detail

CHEMBL3199468

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O=C(NNC(=O)c1ccccc1[N+](=O)[O-])/C(O)=C/C(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3199468
Phase Preclinical
Structure Type MOL
InChI Key VMEVLMWEKAABDY-GDNBJRDFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
1.68
ALogP
6
HBA
3
HBD
138.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O6
MW 355.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.17

Activity Summary

EC50 2 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.95 5.95 1114.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.16 4.16 69973.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine