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Compound Detail

CHEMBL155654

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CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)NCCC)OC.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155654
Phase Preclinical
Structure Type MOL
InChI Key QZVCXBLAAPKZAF-UHFFFAOYSA-N
Parent Compound CHEMBL1181103
Active Moiety CHEMBL1181103
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

615.9
MW (Da)
7.25
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H67IN4O6
MW 742.82
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
2909744 10.1021/jm00121a012 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine