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Compound Detail

CHEMBL1526622

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Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1

Basic Information

ChEMBL ID CHEMBL1526622
Phase Preclinical
Structure Type MOL
InChI Key SRYGSUNSRPMAMF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.06
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5OS
MW 401.50
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -2.56

Activity Summary

IC50 2 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-degrading enzyme
CHEMBL1293287
IC50 5.25 5.25 5666.0 1
Unchecked
CHEMBL612545
IC50 4.65 4.65 22456.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine