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Compound Detail

CHEMBL1500850

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Cc1n[nH]c(S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)n1

Basic Information

ChEMBL ID CHEMBL1500850
Phase Preclinical
Structure Type MOL
InChI Key NFPAYMHTJZCVDP-RIYZIHGNSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.29
ALogP
6
HBA
3
HBD
129.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O5S
MW 371.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.10

Activity Summary

EC50 2 meas. best 5.84
IC50 2 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.84 5.84 1451.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.39 5.39 4095.0 1
Aminopeptidase N
CHEMBL4117
IC50 4.73 4.73 18470.0 1
RNA-editing ligase 1, mitochondrial
CHEMBL4105928
IC50 4.11 4.11 77911.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine