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Compound Detail

CHEMBL1091171

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CCC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091171
Phase Preclinical
Structure Type MOL
InChI Key CTXCLYPEULYDKG-IKOFQBKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

559.6
MW (Da)
2.86
ALogP
5
HBA
2
HBD
85.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36F3N5O3
MW 559.63
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
20223662 10.1016/j.bmcl.2010.02.072 C-C chemokine receptor type 2 2

Data from ChEMBL 36 via Core Engine