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Compound Detail

CHEMBL1077351

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COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1077351
Phase Preclinical
Structure Type MOL
InChI Key NZESJOKORMSILA-ZARYIDLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
4.96
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39F3N4O2
MW 544.66
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
20176481 10.1016/j.bmcl.2010.02.004 C-C chemokine receptor type 5 1
20176481 10.1016/j.bmcl.2010.02.004 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine