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Compound Detail

CHEMBL237631

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Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237631
Phase Preclinical
Structure Type MOL
InChI Key HXNHJZYVVQMGNN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
5.19
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F2N2
MW 324.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21105715 10.1021/jm100786g C-X-C chemokine receptor type 4 3
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 2

Data from ChEMBL 36 via Core Engine