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Compound Detail

CHEMBL156823

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CCCCCCCCCCCCCCCCCCNC(=O)Oc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156823
Phase Preclinical
Structure Type MOL
InChI Key LTXUCUZTHXKNPJ-UHFFFAOYSA-N
Parent Compound CHEMBL1181135
Active Moiety CHEMBL1181135
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

636.9
MW (Da)
9.35
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H62IN3O4
MW 763.85
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine