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

CHEMBL4530389

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
CCn1c2c(c3ccccc31)CCN(C(=O)c1cccc(OC)c1)C2c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4530389
Phase Preclinical
Structure Type MOL
InChI Key JDEGGXLRMJLZFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

479.4
MW (Da)
6.76
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24Cl2N2O2
MW 479.41
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
27280693 10.1021/acs.jmedchem.6b00035 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
27280693 10.1021/acs.jmedchem.6b00035 No relevant target 1
27280693 10.1021/acs.jmedchem.6b00035 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine