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Compound Detail

CHEMBL409679

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O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409679
Phase Preclinical
Structure Type MOL
InChI Key XVPMLMSSVMKOOV-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
3.48
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClF3N3O2
MW 439.87
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
18313297 10.1016/j.bmcl.2008.02.015 C-C chemokine receptor type 2 2

Data from ChEMBL 36 via Core Engine