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Compound Detail

CHEMBL154113

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2[O-])C(C)=O)cc1C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154113
Phase Preclinical
Structure Type MOL
InChI Key NRZVSHIWPNIVQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.8
MW (Da)
7.89
ALogP
4
HBA
0
HBD
73.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H50N2O4
MW 538.77
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine