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Compound Detail

CHEMBL391151

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COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391151
Phase Preclinical
Structure Type MOL
InChI Key WCCHVYYZOCJPRL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.93
ALogP
4
HBA
2
HBD
42.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O2
MW 348.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.53

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 2

Data from ChEMBL 36 via Core Engine