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Compound Detail

CHEMBL422160

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CCCCCCCCCCCCCCOc1ccc(COC(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422160
Phase Preclinical
Structure Type MOL
InChI Key DEAMSYXHRYOCMF-UHFFFAOYSA-M
Parent Compound CHEMBL1185577
Active Moiety CHEMBL1185577
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
7.28
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47IN2O4
MW 638.63
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.22

Literature References

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

Data from ChEMBL 36 via Core Engine