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Compound Detail

CHEMBL376958

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CC(=O)N(CCN(C)C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376958
Phase Preclinical
Structure Type MOL
InChI Key IXGSVNLBEGVRRF-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
4.49
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F6N3O2
MW 489.46
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
16698264 10.1016/j.bmcl.2006.04.045 C-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine