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Compound Detail

CHEMBL526127

POCHONIN D
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C[C@@H]1C/C=C/CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

Basic Information

ChEMBL ID CHEMBL526127
Name POCHONIN D
Phase Preclinical
Structure Type MOL
InChI Key FJVQHTGEXYKKBS-CJRGTMQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

350.8
MW (Da)
3.70
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClO5
MW 350.80
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.01

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Heat shock protein HSP 90-beta
CHEMBL4303
IC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Heat shock protein HSP 90-beta IC50 = 80.0 nM 7.1 Inhibition of Hsp90 19017562

Literature References

PubMed DOI Target Context # Activities
12828470 10.1021/np020556v Human alphaherpesvirus 1 1
12828470 10.1021/np020556v Vero 1
12828470 10.1021/np020556v Neospora caninum 1
12828470 10.1021/np020556v Estrogen receptor beta 1
12828470 10.1021/np020556v ADMET 1
12828470 10.1021/np020556v Eimeria tenella 1
19017562 10.1016/j.bmc.2008.10.087 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine