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Compound Detail

CHEMBL251927

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O=C(NCc1ccc(CNCc2ccc3ccccc3c2)cc1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251927
Phase Preclinical
Structure Type MOL
InChI Key VVKAQCHOXVGFCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
7.19
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H34N4O2S
MW 562.74
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.61

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