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Compound Detail

CHEMBL32747

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COC(=O)c1ccc(CC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32747
Phase Preclinical
Structure Type MOL
InChI Key DMCBUCDIAPMCMI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.44
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O7
MW 358.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15006380 10.1016/j.bmcl.2004.01.027 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine