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

CHEMBL332188

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
C[C@@]1(CO)[C@@H](O)CC[C@]2(C)c3cc(O)c(CO)cc3CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL332188
Phase Preclinical
Structure Type MOL
InChI Key OVWWJPDVMIKQJH-XDNAFOTISA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
1.86
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.67
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 C18H26O4
MW 306.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.62

Activity Summary

EC50 2 meas. best 5.16
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase alpha catalytic subunit
CHEMBL1828
EC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase alpha catalytic subunit EC50 = 7000.0 nM 5.16 Effective concentration against DNA polymerase alpha 8246219

Literature References

PubMed DOI Target Context # Activities
8246219 10.1021/jm00075a003 Vero 3
8246219 10.1021/jm00075a003 MRC5 2
8246219 10.1021/jm00075a003 Human alphaherpesvirus 2 1
8246219 10.1021/jm00075a003 DNA polymerase alpha catalytic subunit 1
8246219 10.1021/jm00075a003 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine