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Compound Detail

CHEMBL1800181

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O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)OCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1800181
Phase Preclinical
Structure Type MOL
InChI Key QOTAUZLULHXTFX-AWJHAJMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

685.0
MW (Da)
6.95
ALogP
6
HBA
4
HBD
125.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H60N4O5S
MW 684.99
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
21675776 10.1021/jm2004392 Cannabinoid receptor 1 1
21675776 10.1021/jm2004392 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine