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Compound Detail

CHEMBL1359469

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CCOC(=O)c1cc(-c2ccccc2)sc1N=C(S)Nc1cc(C)ccn1

Basic Information

ChEMBL ID CHEMBL1359469
Phase Preclinical
Structure Type MOL
InChI Key GKICENBQLWJWFF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.32
ALogP
5
HBA
2
HBD
63.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O2S2
MW 397.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.24

Activity Summary

EC50 2 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 6.11 6.11 770.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.95 4.95 11146.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine