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Compound Detail

CHEMBL4440305

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Cc1cccc(-n2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440305
Phase Preclinical
Structure Type MOL
InChI Key YONULORMOPGVCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
4.44
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N3O
MW 373.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.37

Literature References

PubMed DOI Target Context # Activities
30455146 10.1016/j.bmcl.2018.11.015 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine