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Compound Detail

CHEMBL4286755

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COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(OCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4286755
Phase Preclinical
Structure Type MOL
InChI Key ZEPMHRJHMMSBMB-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

607.7
MW (Da)
1.77
ALogP
9
HBA
4
HBD
163.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H41N5O7
MW 607.71
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
29407590 10.1016/j.ejmech.2017.11.076 Cannabinoid receptor 1 2
29407590 10.1016/j.ejmech.2017.11.076 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine