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Compound Detail

CHEMBL4069573

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Sc1ccnc2cccnc12

Basic Information

ChEMBL ID CHEMBL4069573
Phase Preclinical
Structure Type MOL
InChI Key SGHZZKBRDXCNBN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.92
ALogP
3
HBA
1
HBD
25.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6N2S
MW 162.22
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 4.82 4.82 15000.0 1
Unchecked
CHEMBL612545
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 1

Data from ChEMBL 36 via Core Engine