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Compound Detail

CHEMBL1421995

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Cc1c(O)ccc(-c2[nH]nc(C(=O)O)c2-c2nc3ccccc3s2)c1O

Basic Information

ChEMBL ID CHEMBL1421995
Phase Preclinical
Structure Type MOL
InChI Key XYJXIVSBKDRSQY-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.77
ALogP
6
HBA
4
HBD
119.3
PSA (Ų)
0.44
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 C18H13N3O4S
MW 367.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.83

Activity Summary

EC50 2 meas. best 4.85
IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.27 5.27 5408.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.85 4.85 14034.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.82 4.82 15271.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine