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Compound Detail

CHEMBL4286343

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C[C@H](NC(=O)COc1ccc2c(c1)c(C(=O)c1cccc3ccccc13)cn2CCN1CCOCC1)C(=O)N[C@@H](C)C(=O)NCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4286343
Phase Preclinical
Structure Type MOL
InChI Key JBIMJYKJVNODLT-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

642.8
MW (Da)
1.82
ALogP
9
HBA
4
HBD
157.0
PSA (Ų)
0.15
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 C35H42N6O6
MW 642.76
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -1.13

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