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Compound Detail

CHEMBL320855

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CCOC(=O)C1=C(c2ccc(-n3nc(C)cc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320855
Phase Preclinical
Structure Type MOL
InChI Key PBLGHOTYJZCHFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.1
MW (Da)
6.11
ALogP
7
HBA
2
HBD
98.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30ClN5O3
MW 568.08
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
1507200 10.1021/jm00095a005 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine