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Compound Detail

CHEMBL243111

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Cc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL243111
Phase Preclinical
Structure Type MOL
InChI Key MSCIKZGQDUGLMX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.15
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.69
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 C16H16N4S
MW 296.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.79

Activity Summary

Ki 2 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
Ki 10.15 10.15 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17636946 10.1021/jm061182w Methionine aminopeptidase 2 1
- 10.1039/C5MD00566C Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine