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Compound Detail

CHEMBL2153768

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COc1ccc(S(=O)(=O)/N=C(\N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2153768
Phase Preclinical
Structure Type MOL
InChI Key YELPJZYQBXJZNM-VNYPPZAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

627.1
MW (Da)
1.84
ALogP
7
HBA
4
HBD
175.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31ClN6O6S
MW 627.12
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
22959249 10.1016/j.bmcl.2012.08.004 Cannabinoid receptor 1 1
22959249 10.1016/j.bmcl.2012.08.004 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine