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Compound Detail

CHEMBL5824516

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C=C1CCN(C(=O)c2cc(Cl)c(O)cc2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5824516
Phase Preclinical
Structure Type MOL
InChI Key UIZSROAAKALMCK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

267.7
MW (Da)
2.54
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14ClNO3
MW 267.71
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Heat shock protein HSP 90-alpha
CHEMBL3880
 IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Heat shock protein HSP 90-alpha IC50 = 670.0 nM 6.17 Endonuclease Activity Assay: Endonuclease activity assays were carried out in Bl... -

Data from ChEMBL 36 via Core Engine