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Compound Detail

CHEMBL1628270

CYPRODIME BROMIDE
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Br.COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3

Basic Information

ChEMBL ID CHEMBL1628270
Name CYPRODIME BROMIDE
Phase Preclinical
Structure Type MOL
InChI Key UXENCGOPJHTEEV-NCBCLDNOSA-N
Parent Compound CHEMBL322796
Active Moiety CHEMBL322796
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.11
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30BrNO3
MW 436.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.11

Activity Summary

Ki 3 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL4354
Ki 7.62 7.62 23.7 1
Kappa-type opioid receptor
CHEMBL3952
Ki 7.21 7.21 61.1 1
Delta-type opioid receptor
CHEMBL236
Ki 6.98 6.98 105.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00325-N Mu-type opioid receptor 1
- 10.1016/0960-894X(95)00325-N Delta-type opioid receptor 1
- 10.1016/0960-894X(95)00325-N Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine