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Compound Detail

CHEMBL566601

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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CNC(=O)Nc1ccccc1OC)CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL566601
Phase Preclinical
Structure Type MOL
InChI Key CBZSYYSJVQFGAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
5.09
ALogP
7
HBA
2
HBD
116.1
PSA (Ų)
0.44
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N2O7
MW 518.57
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.64

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