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Compound Detail

CHEMBL402200

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C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402200
Phase Preclinical
Structure Type MOL
InChI Key CPPVATBLPQLJSW-QRCISCNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.39
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO3
MW 289.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.33

Literature References

PubMed DOI Target Context # Activities
17962026 10.1016/j.bmc.2007.10.030 Mus musculus 4
17962026 10.1016/j.bmc.2007.10.030 Unchecked 3
17962026 10.1016/j.bmc.2007.10.030 Mu-type opioid receptor 1
17962026 10.1016/j.bmc.2007.10.030 Kappa-type opioid receptor 1
17962026 10.1016/j.bmc.2007.10.030 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine