Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL93010

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93010
Phase Preclinical
Structure Type MOL
InChI Key UVGXEFBQPYOCKP-IZDJOXEWSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.95
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H28O6
MW 412.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.24

Activity Summary

EC50 1 meas. best 5.57
IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CEM-SS
CHEMBL614548
 EC50 5.57 5.57 2700.0 1
CEM-SS
CHEMBL614548
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CEM-SS EC50 = 2700.0 nM 5.57 Potency to inhibit HIV-1 induced cytopathic effects in human T-lymphoblastic cel... 1379639
CEM-SS IC50 = 13000.0 nM 4.89 Concentration inhibiting HIV-1 induced cytopathic effects in human T-lymphoblast... 1379639

Literature References

PubMed DOI Target Context # Activities
1379639 10.1021/jm00093a004 CEM-SS 3
1379639 10.1021/jm00093a004 ADMET 1

Data from ChEMBL 36 via Core Engine