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Compound Detail

CHEMBL2337434

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CCOC(=O)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2337434
Phase Preclinical
Structure Type MOL
InChI Key IJPVBUQUHPMPMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
4.29
ALogP
4
HBA
1
HBD
68.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO4
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
23540737 10.1021/jm400102x Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine