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Compound Detail

CHEMBL6012956

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Nc1nnc(-c2ccccc2O)cc1C1CC1

Basic Information

ChEMBL ID CHEMBL6012956
Phase Preclinical
Structure Type MOL
InChI Key SPQFKAUBHXPELH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
2.31
ALogP
4
HBA
2
HBD
72.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O
MW 227.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.75 7.75 17.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 17.6 nM 7.75 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine