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Compound Detail

CHEMBL3192762

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C/C(=N\c1ccc(Br)cc1)c1sc2ccccc2c1O

Basic Information

ChEMBL ID CHEMBL3192762
Phase Preclinical
Structure Type MOL
InChI Key CBHRLZCFSLCIPK-VCHYOVAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.2
MW (Da)
5.51
ALogP
3
HBA
1
HBD
32.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12BrNOS
MW 346.25
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.39 5.39 4082.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 4082.0 nM 5.39 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine