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Compound Detail

CHEMBL1462002

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O=C(NNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1462002
Phase Preclinical
Structure Type MOL
InChI Key ZIYSQRUZACYFGD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
0.46
ALogP
6
HBA
2
HBD
127.1
PSA (Ų)
0.62
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 C12H9N5O4
MW 287.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.19

Activity Summary

EC50 2 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.99 5.99 1027.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.66 4.66 22077.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine