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Compound Detail

CHEMBL5952578

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CC(C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5952578
Phase Preclinical
Structure Type MOL
InChI Key UBFNRPGSFRMZGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.94
ALogP
7
HBA
2
HBD
110.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.61 7.61 24.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 24.7 nM 7.61 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine