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Compound Detail

CHEMBL237164

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COc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237164
Phase Preclinical
Structure Type MOL
InChI Key BTEAFZRBSOWUOB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.21
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4
MW 376.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

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