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Compound Detail

CHEMBL6061191

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Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1ccccc1

Basic Information

ChEMBL ID CHEMBL6061191
Phase Preclinical
Structure Type MOL
InChI Key HRUFTLXIFIAYKI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.29
ALogP
6
HBA
2
HBD
78.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O
MW 373.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.37 8.37 4.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4.3 nM 8.37 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine