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Compound Detail

CHEMBL270403

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C[C@H]1CN(CCC(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270403
Phase Preclinical
Structure Type MOL
InChI Key HMBHDAOMOUPOIS-SCLBCKFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.58
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O4
MW 334.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
18313920 10.1016/j.bmcl.2008.01.106 Mu-type opioid receptor 2
18313920 10.1016/j.bmcl.2008.01.106 Unchecked 2
18313920 10.1016/j.bmcl.2008.01.106 Kappa-type opioid receptor 1
18313920 10.1016/j.bmcl.2008.01.106 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine