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Compound Detail

CHEMBL1872607

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O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1872607
Phase Preclinical
Structure Type MOL
InChI Key GHJLXPBCHNGFBU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
0.15
ALogP
5
HBA
3
HBD
113.1
PSA (Ų)
0.59
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 C17H14N4O4
MW 338.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.60

Activity Summary

IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.03 5.03 9397.0 1
H9c2
CHEMBL614576
 IC50 4.73 4.73 18556.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9397.0 nM 5.03 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... -
H9c2 IC50 = 18556.0 nM 4.73 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... -

Data from ChEMBL 36 via Core Engine