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Compound Detail

CHEMBL418118

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

Basic Information

ChEMBL ID CHEMBL418118
Phase Preclinical
Structure Type MOL
InChI Key FFQBLECKQNNFOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.8
MW (Da)
7.45
ALogP
5
HBA
3
HBD
100.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49N3O4
MW 539.76
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.58

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