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Compound Detail

CHEMBL1360509

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O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1

Basic Information

ChEMBL ID CHEMBL1360509
Phase Preclinical
Structure Type MOL
InChI Key BOZWTOZOKMVQBH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
0.96
ALogP
8
HBA
2
HBD
126.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O5S
MW 377.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.41

Activity Summary

EC50 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 6.14 6.14 731.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.07 4.07 84903.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine