Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4551394

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C#Cc1cccc(Nc2nc3cc([N+](=O)[O-])ccc3nc2Nc2ccc(OC)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551394
Phase Preclinical
Structure Type MOL
InChI Key UUCUXKYURZHXPB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
5.02
ALogP
7
HBA
2
HBD
102.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N5O3
MW 411.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1703
CHEMBL1075522
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1703 IC50 = 500.0 nM 6.3 Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... -

Data from ChEMBL 36 via Core Engine