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Compound Detail

CHEMBL252750

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CC(=O)Nc1nc2ccc(C(=O)NCCNCc3ccc4ccccc4c3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252750
Phase Preclinical
Structure Type MOL
InChI Key FLUKZDAKKYOZSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.93
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O2S
MW 418.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.74

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