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Compound Detail

CHEMBL154993

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CCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2C)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154993
Phase Preclinical
Structure Type MOL
InChI Key CDMLOYMUGPYUJP-UHFFFAOYSA-N
Parent Compound CHEMBL1181082
Active Moiety CHEMBL1181082
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.7
MW (Da)
6.52
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43IN2O2
MW 566.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.52

Literature References

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

Data from ChEMBL 36 via Core Engine