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Compound Detail

CHEMBL1320535

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Cc1occc1C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1

Basic Information

ChEMBL ID CHEMBL1320535
Phase Preclinical
Structure Type MOL
InChI Key YFGBHHQSAHRQIB-IZZDOVSWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.1
MW (Da)
3.85
ALogP
4
HBA
1
HBD
74.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BrNO3
MW 332.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.48

Activity Summary

IC50 2 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.01 5.01 9830.0 1
Prothrombin
CHEMBL4471
IC50 4.92 4.92 12100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine