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Compound Detail

CHEMBL243117

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Cc1cc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)no1

Basic Information

ChEMBL ID CHEMBL243117
Phase Preclinical
Structure Type MOL
InChI Key HBOYMSMNHPPYJJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.8
MW (Da)
3.79
ALogP
6
HBA
2
HBD
79.6
PSA (Ų)
0.70
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 C13H12ClN5OS
MW 321.79
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.63

Activity Summary

Ki 2 meas. best 8.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
Ki 8.75 8.745 1.8 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