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Compound Detail

CHEMBL2153769

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CC(C)[C@H](N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)C(=O)NCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2153769
Phase Preclinical
Structure Type MOL
InChI Key LJFCGKDREUOQNA-JKGBFCRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

629.6
MW (Da)
3.76
ALogP
5
HBA
3
HBD
146.3
PSA (Ų)
0.24
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 C29H30Cl2N6O4S
MW 629.57
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.95

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