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Compound Detail

CHEMBL1305574

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CN1C(=O)/C(=C/C=C2/CCCN2C)N(C)C1=S

Basic Information

ChEMBL ID CHEMBL1305574
Phase Preclinical
Structure Type MOL
InChI Key SXRPCRZFBUCPSR-LFPVQMOXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
1.17
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3OS
MW 251.35
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.38

Activity Summary

IC50 2 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.09 5.09 8150.0 1
Prothrombin
CHEMBL4471
IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine