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Compound Detail

CHEMBL3220533

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COc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220533
Phase Preclinical
Structure Type MOL
InChI Key XSULJHGOTIUCPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.98
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O
MW 410.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20146A Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine