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Compound Detail

CHEMBL1782330

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CCC(CC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

Basic Information

ChEMBL ID CHEMBL1782330
Phase Preclinical
Structure Type MOL
InChI Key BFFFPVCCNUTFRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
6.11
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O3
MW 382.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.28

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19447037 10.1016/j.bmcl.2009.04.137 Bovine viral diarrhea virus 1 1
19447037 10.1016/j.bmcl.2009.04.137 ADMET 1
19447037 10.1016/j.bmcl.2009.04.137 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine