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Compound Detail

CHEMBL60873

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CCc1c(C)nc(O)c(NC(=O)CCCCCCCCC(=O)OC)c1Cc1cc(C)cc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60873
Phase Preclinical
Structure Type MOL
InChI Key OTYDPFAPOGOLMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
6.10
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N2O4
MW 468.64
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
10821705 10.1021/jm991125l Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine