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Compound Detail

CHEMBL252347

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O=C(NCCNCc1ccc2ccccc2c1)c1ccc2ncsc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252347
Phase Preclinical
Structure Type MOL
InChI Key NVXOZJDLTQKPSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.97
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3OS
MW 361.47
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
17349719 10.1016/j.ejmech.2006.11.001 Glycylpeptide N-tetradecanoyltransferase 2

Data from ChEMBL 36 via Core Engine