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Compound Detail

CHEMBL1307886

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Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1307886
Phase Preclinical
Structure Type MOL
InChI Key IOCVDPIUGAZFBI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.7
MW (Da)
0.63
ALogP
8
HBA
4
HBD
165.2
PSA (Ų)
0.42
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 C13H11ClFN7O4
MW 383.73
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.14

Activity Summary

EC50 2 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 6.62 6.62 241.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 6.26 6.26 548.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine