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

CHEMBL557572

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
Cl.Nc1cccc(-c2cc(O)c3ccc4[nH]ccc4c3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL557572
Phase Preclinical
Structure Type MOL
InChI Key IQZCTUPQZXIVBQ-UHFFFAOYSA-N
Parent Compound CHEMBL192764
Active Moiety CHEMBL192764
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
3.67
ALogP
3
HBA
3
HBD
74.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3O
MW 311.77
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
15857148 10.1021/jm049387x NON-PROTEIN TARGET 8
15857148 10.1021/jm049387x OVCAR-3 1
15857148 10.1021/jm049387x IGROV-1 1
15857148 10.1021/jm049387x MCF7 1
15857148 10.1021/jm049387x A 172 1
15857148 10.1021/jm049387x HT-29 1
15857148 10.1021/jm049387x HepG2 1

Data from ChEMBL 36 via Core Engine