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Compound Detail

CHEMBL183346

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CCCCc1ccc(C(=O)Nc2nccs2)nc1

Basic Information

ChEMBL ID CHEMBL183346
Phase Preclinical
Structure Type MOL
InChI Key YRXKEFROZQCIOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.90
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 C13H15N3OS
MW 261.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1

Data from ChEMBL 36 via Core Engine