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Compound Detail

CHEMBL1365400

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CCN1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)O)c2C1

Basic Information

ChEMBL ID CHEMBL1365400
Phase Preclinical
Structure Type MOL
InChI Key UZLYDACUZMAVMX-RAXLEYEMSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.37
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.76
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 C20H18N2O2S
MW 350.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.31

Activity Summary

EC50 2 meas. best 4.5
IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.03 5.03 9411.0 1
Protein Rev
CHEMBL1293282
IC50 4.77 4.77 16969.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.5 4.5 31884.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.41 4.41 39169.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine