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

CHEMBL7378

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)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7378
Phase Preclinical
Structure Type MOL
InChI Key HQVBDUZROQMWRN-NWDGAFQWSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.53
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24O5
MW 368.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 2.31

Activity Summary

IC50 2 meas. best 4.92
EC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CEM-SS
CHEMBL614548
 EC50 5.55 5.55 2800.0 1
CEM-SS
CHEMBL614548
 IC50 4.92 4.745 12000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CEM-SS EC50 = 2800.0 nM 5.55 Concentration required to protect CEM-SS cells from HIV-1 mediated cytopathicity... 9083491
CEM-SS IC50 = 12000.0 nM 4.92 Antiviral activity against HIV-1 determined by concentration which resulted in c... 9083491
CEM-SS IC50 = 27000.0 nM 4.57 Concentration inhibiting HIV-1 induced cytopathic effects in human T-lymphoblast... 1379639

Literature References

PubMed DOI Target Context # Activities
9083491 10.1021/jm960355m CEM-SS 2
1379639 10.1021/jm00093a004 CEM-SS 1
9083491 10.1021/jm960355m ADMET 1
9083491 10.1021/jm960355m Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine