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Compound Detail

CHEMBL1342622

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O=C(NN=Cc1sc(=O)[n-]c1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1O

Basic Information

ChEMBL ID CHEMBL1342622
Phase Preclinical
Structure Type MOL
InChI Key ZNJOQZKBNQBJLS-UHFFFAOYSA-O
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
1.87
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N5O3S
MW 417.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.93

Activity Summary

EC50 2 meas. best 4.97
IC50 2 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.97 4.97 10690.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.92 4.92 11899.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.48 4.425 33300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine