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Compound Detail

CHEMBL3325698

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Cc1nn(-c2cccc(Cl)c2)c2c1C(=O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325698
Phase Preclinical
Structure Type MOL
InChI Key RSJMDMYXRFAQCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.8
MW (Da)
3.99
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN2O
MW 288.78
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
25087049 10.1016/j.bmc.2014.07.012 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine