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Compound Detail

CHEMBL1342776

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CN1C(=O)C(=Cc2sc(=O)n(-c3ccccc3)c2N2CCCCC2)C(=O)N(C)C1=O

Basic Information

ChEMBL ID CHEMBL1342776
Phase Preclinical
Structure Type MOL
InChI Key PRTVRVNASWOYCC-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
2.32
ALogP
7
HBA
0
HBD
82.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O4S
MW 426.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

EC50 3 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.34 5.34 4557.0 1
Mucolipin-3
CHEMBL1293243
EC50 4.97 4.97 10700.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.7 4.7 19902.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine