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Compound Detail

CHEMBL584103

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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CN1CCCCC1)CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL584103
Phase Preclinical
Structure Type MOL
InChI Key SYEAIRZPSIFDMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.75
ALogP
6
HBA
0
HBD
69.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO5
MW 437.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
20050672 10.1021/jm901653e Human immunodeficiency virus 1 1
20050672 10.1021/jm901653e Unchecked 1

Data from ChEMBL 36 via Core Engine