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Compound Detail

CHEMBL6001602

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Nc1nnc(-c2ccccc2O)cc1N1C[C@H]2C[C@@H]1CN2c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6001602
Phase Preclinical
Structure Type MOL
InChI Key MTXWDADYKYPVEZ-ZIAGYGMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.29
ALogP
7
HBA
2
HBD
91.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6O
MW 360.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.97 7.97 10.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10.6 nM 7.97 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine