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Compound Detail

CHEMBL5947759

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Nc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2cncs2)C(CO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5947759
Phase Preclinical
Structure Type MOL
InChI Key JHRGZYTZACMRJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
1.21
ALogP
9
HBA
3
HBD
128.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N6O3S
MW 412.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.69 7.69 20.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 20.6 nM 7.69 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine