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Compound Detail

CHEMBL1396156

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Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc([N+](=O)[O-])o2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1396156
Phase Preclinical
Structure Type MOL
InChI Key UTOBWDJNECWBDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.3
MW (Da)
2.36
ALogP
10
HBA
2
HBD
159.3
PSA (Ų)
0.37
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 C16H14N6O5
MW 370.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 490.0 nM 6.31 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -

Data from ChEMBL 36 via Core Engine