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Compound Detail

CHEMBL4476649

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O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4476649
Phase Preclinical
Structure Type MOL
InChI Key CRLOJHYDLJBMNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
5.03
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F3N3O
MW 409.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
30595446 10.1016/j.bmcl.2018.12.024 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine