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Compound Detail

CHEMBL448078

COCHINOLIDE
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O=C1OC2=C[C@@H](O)CCC2=C1C(O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL448078
Name COCHINOLIDE
Phase Preclinical
Structure Type MOL
InChI Key BSEKYAJQRZECLG-XLLULAGJSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.61
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.79
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 C15H14O4
MW 258.27
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.98

Activity Summary

EC50 2 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 1
CHEMBL377
EC50 4.51 4.51 31000.0 1
Human alphaherpesvirus 2
CHEMBL370
EC50 4.07 4.07 86000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 1 EC50 = 31000.0 nM 4.51 Antiviral activity against HSV1 15104498
Human alphaherpesvirus 2 EC50 = 86000.0 nM 4.07 Antiviral activity against HSV2 15104498

Literature References

PubMed DOI Target Context # Activities
15104498 10.1021/np034052o Human alphaherpesvirus 1 1
15104498 10.1021/np034052o Human alphaherpesvirus 2 1
15104498 10.1021/np034052o Human immunodeficiency virus 1 1
9584406 10.1021/np970341z Human alphaherpesvirus 1 1
9584406 10.1021/np970341z Human alphaherpesvirus 2 1

Data from ChEMBL 36 via Core Engine