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Compound Detail

CHEMBL7270

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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C(C)(C)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7270
Phase Preclinical
Structure Type MOL
InChI Key GDIWNOVCASGPQN-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.92
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O5
MW 382.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.22

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CEM-SS
CHEMBL614548
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CEM-SS IC50 = 19000.0 nM 4.72 Antiviral activity against HIV-1 determined by concentration which resulted in c... 9083491

Literature References

PubMed DOI Target Context # Activities
9083491 10.1021/jm960355m CEM-SS 2

Data from ChEMBL 36 via Core Engine