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Compound Detail

CHEMBL209412

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CN(C)CCO[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209412
Phase Preclinical
Structure Type MOL
InChI Key QGKAOMFUWFHVMN-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
4.66
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.60
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 C21H22F6N2O2
MW 448.41
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.06

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