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Compound Detail

CHEMBL1688245

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CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688245
Phase Preclinical
Structure Type MOL
InChI Key ZMCJFJZOSKEMOM-BYGVMDBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

559.7
MW (Da)
4.82
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40F3N5O2
MW 559.68
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
24900235 10.1021/ml1001536 C-C chemokine receptor type 5 1

Data from ChEMBL 36 via Core Engine