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Compound Detail

CHEMBL1370907

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O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1370907
Phase Preclinical
Structure Type MOL
InChI Key DLNCASBDPGAELF-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.45
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3OS
MW 295.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.66

Activity Summary

EC50 3 meas. best 5.24
IC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.24 5.03 5825.0 2
H4
CHEMBL1075452
EC50 5.21 5.21 6225.0 1
Leucine aminopeptidase
CHEMBL1293313
IC50 4.32 4.32 47490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33756127 10.1016/j.ejmech.2021.113326 DCN1-like protein 1 2

Data from ChEMBL 36 via Core Engine