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Compound Detail

CHEMBL252545

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O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NCc3ccccn3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252545
Phase Preclinical
Structure Type MOL
InChI Key POTYZNMFZDFMQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.98
ALogP
6
HBA
3
HBD
78.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N5OS
MW 467.60
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.86

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