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Compound Detail

CHEMBL472912

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CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472912
Phase Preclinical
Structure Type MOL
InChI Key IVZVJHKTPLQQLA-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.8
MW (Da)
4.62
ALogP
2
HBA
1
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClF3N3O2
MW 425.84
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
19183043 10.1021/jm801416q C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine