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Compound Detail

CHEMBL1385264

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CC(C)N=C(S)NN=C1CCCCCCCCCCC1

Basic Information

ChEMBL ID CHEMBL1385264
Phase Preclinical
Structure Type MOL
InChI Key RAXWCYGIKBJPDZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.5
MW (Da)
4.93
ALogP
2
HBA
2
HBD
36.8
PSA (Ų)
0.32
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 C16H31N3S
MW 297.51
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calpain-2 catalytic subunit
CHEMBL4143
IC50 5.98 5.98 1044.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Calpain-2 catalytic subunit IC50 = 1044.74 nM 5.98 PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... -

Data from ChEMBL 36 via Core Engine