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Compound Detail

CHEMBL1486886

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C=CCn1c(S)nnc1Cc1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL1486886
Phase Preclinical
Structure Type MOL
InChI Key RPGMYBQMVSVJFS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.22
ALogP
5
HBA
2
HBD
59.4
PSA (Ų)
0.56
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 C13H13N5S
MW 271.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.24

Activity Summary

EC50 2 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.96 5.96 1096.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.1 4.1 80171.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine