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Compound Detail

CHEMBL5896053

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CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1S(=O)(=O)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5896053
Phase Preclinical
Structure Type MOL
InChI Key IEGZWXJBFIKDGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
1.43
ALogP
7
HBA
2
HBD
112.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O3S
MW 389.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.71 7.71 19.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19.7 nM 7.71 BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... -

Data from ChEMBL 36 via Core Engine