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Compound Detail

CHEMBL3190584

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CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL3190584
Phase Preclinical
Structure Type MOL
InChI Key LNFYZPORBKQNED-RELWKKBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
77.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO5
MW 385.46
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase BAP1
CHEMBL1293314
IC50 4.47 4.47 33938.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine