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Compound Detail

CHEMBL4570486

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c1ccc(Oc2ccc(Nc3nc4ccccc4nc3Nc3ccc(Oc4ccccc4)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4570486
Phase Preclinical
Structure Type MOL
InChI Key KVWSRFVKVQLZJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
8.70
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H24N4O2
MW 496.57
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1703
CHEMBL1075522
 IC50 5.13 5.13 7400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1703 IC50 = 7400.0 nM 5.13 Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... -

Data from ChEMBL 36 via Core Engine