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Compound Detail

CHEMBL243321

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Cc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL243321
Phase Preclinical
Structure Type MOL
InChI Key JCCLYBLQSDKYDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.43
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.68
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 C16H14F2N4S
MW 332.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.33

Activity Summary

Ki 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
Ki 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 2 Ki = 3.3 nM 8.48 Inhibition of human recombinant MetAP2 17636946

Literature References

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

Data from ChEMBL 36 via Core Engine