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Compound Detail

CHEMBL215976

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COC(=O)C[C@@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215976
Phase Preclinical
Structure Type MOL
InChI Key UCAVKEAIPYYIJW-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

544.5
MW (Da)
5.79
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30F6N2O3
MW 544.54
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
16870431 10.1016/j.bmcl.2006.07.011 C-C chemokine receptor type 2 2

Data from ChEMBL 36 via Core Engine