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Compound Detail

CHEMBL1814161

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CCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814161
Phase Preclinical
Structure Type MOL
InChI Key DBKCWYUJODQIEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

558.4
MW (Da)
4.06
ALogP
9
HBA
2
HBD
137.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25Cl2N7O4
MW 558.43
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
21741835 10.1016/j.bmcl.2011.06.017 Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine