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Compound Detail

CHEMBL395100

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Cc1cc(CSc2nnc(Nc3cccnc3)[nH]2)no1

Basic Information

ChEMBL ID CHEMBL395100
Phase Preclinical
Structure Type MOL
InChI Key AACDUZATGDPUNH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.53
ALogP
7
HBA
2
HBD
92.5
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 C12H12N6OS
MW 288.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.78

Activity Summary

Ki 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
Ki 8.82 8.82 1.5 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