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Compound Detail

CHEMBL1715537

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CC1(C)CSC(NCc2ccccc2)=N1

Basic Information

ChEMBL ID CHEMBL1715537
Phase Preclinical
Structure Type MOL
InChI Key JXTBEMXNYIIFJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
2.66
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2S
MW 220.34
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.51

Activity Summary

EC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.55 5.55 2840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine