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Compound Detail

CHEMBL56585

CYCLAZOCINE
🧪 Phase II
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🧪 Phase II
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56585
Name CYCLAZOCINE
Phase Phase II
Structure Type MOL
InChI Key YQYVFVRQLZMJKJ-JBBXEZCESA-N

Known Names

Ciclazocina Cyclazocine NSC-107429 WIN 20,740 WIN-20740
8
Targets
58
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

271.4
MW (Da)
3.33
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -azocine
USAN Year 1965

Extended Properties

Molecular Formula C18H25NO
MW 271.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.43

Activity Summary

Ki 39 meas. best 10.49
IC50 10 meas. best 8.0
EC50 9 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL4354
 Ki 10.49 9.9338 0.0 8
Kappa-type opioid receptor
CHEMBL3952
 Ki 10.28 9.9456 0.1 9
Kappa-type opioid receptor
CHEMBL237
 Ki 10.15 10.0 0.1 3
Mu-type opioid receptor
CHEMBL233
 Ki 10.1 10.0 0.1 6
Mu-type opioid receptor
CHEMBL270
 Ki 9.74 9.33 0.2 2
Delta-type opioid receptor
CHEMBL236
 Ki 9.24 9.0578 0.6 9
Kappa-type opioid receptor
CHEMBL237
 EC50 8.92 8.875 1.2 4
Mu-type opioid receptor
CHEMBL233
 EC50 8.89 8.586 1.3 5
Mu-type opioid receptor
CHEMBL233
 IC50 8.0 7.9633 10.0 6
Unchecked
CHEMBL612545
 Ki 6.97 6.275 107.0 2
Plasmodium falciparum
CHEMBL364
 IC50 5.5 5.15 3162.3 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor Ki = 0.032 nM 10.49 Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... 12593663
Kappa-type opioid receptor Ki = 0.052 nM 10.28 Binding affinity to displace radioligand [3H]U-69593 on Opioid receptor kappa 1 ... 11000010
Kappa-type opioid receptor Ki = 0.052 nM 10.28 Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain mem... 11266156
Kappa-type opioid receptor Ki = 0.052 nM 10.28 Binding affinity was determined against Opioid receptor kappa 1 obtained from gu... 10673107
Kappa-type opioid receptor Ki = 0.052 nM 10.28 Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [... 10633042
Kappa-type opioid receptor Ki = 0.052 nM 10.28 Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H... 12593663
Kappa-type opioid receptor Ki = 0.07 nM 10.15 Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO ce... 19091564
Kappa-type opioid receptor Ki = 0.07 nM 10.15 Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cel... 19027293
Mu-type opioid receptor Ki = 0.08 nM 10.1 Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... -
Mu-type opioid receptor Ki = 0.08 nM 10.1 Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... -
Mu-type opioid receptor Ki = 0.08 nM 10.1 Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... -
Mu-type opioid receptor Ki = 0.08 nM 10.1 Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... -
Mu-type opioid receptor Ki = 0.1 nM 10.0 Binding affinity to displace radioligand [3H]DAMGO on Opioid receptor mu 1 in gu... 11000010
Mu-type opioid receptor Ki = 0.1 nM 10.0 Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membrane... 11266156
Mu-type opioid receptor Ki = 0.1 nM 10.0 Binding affinity was determined against Opioid receptor mu 1 obtained from guine... 10673107
Mu-type opioid receptor Ki = 0.1 nM 10.0 Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]... 10633042
Mu-type opioid receptor Ki = 0.1 nM 10.0 Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... 12593663
Mu-type opioid receptor Ki = 0.16 nM 9.8 Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells 19027293
Mu-type opioid receptor Ki = 0.16 nM 9.8 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells 19091564
Kappa-type opioid receptor Ki = 0.18 nM 9.74 Binding affinity was determined towards opioid receptor kappa 1 using [3H]U-6959... 12749896

Literature References

PubMed DOI Target Context # Activities
7359514 10.1021/jm00175a013 Rattus norvegicus 9
12593663 10.1021/jm020429w Kappa-type opioid receptor 8
19091564 10.1016/j.bmcl.2008.11.076 Mu-type opioid receptor 5
19027293 10.1016/j.bmcl.2008.10.134 Mu-type opioid receptor 5
19027293 10.1016/j.bmcl.2008.10.134 Kappa-type opioid receptor 5
19091564 10.1016/j.bmcl.2008.11.076 Kappa-type opioid receptor 5
28288109 10.1038/nchembio.2334 Mas-related G-protein coupled receptor member X2 5
7359514 10.1021/jm00175a013 Mus musculus 4
19734910 10.1038/nchembio.215 Plasmodium falciparum 4
12593663 10.1021/jm020429w Mu-type opioid receptor 4
41949 10.1021/jm00196a002 Rattus norvegicus 3
1322987 10.1021/jm00093a014 Unchecked 3
19027293 10.1016/j.bmcl.2008.10.134 Unchecked 2
12593663 10.1021/jm020429w Delta-type opioid receptor 2
19091564 10.1016/j.bmcl.2008.11.076 Unchecked 2
18027916 10.1021/jm070524a No relevant target 2
7192744 10.1021/jm00186a025 Rattus norvegicus 2
2831361 10.1021/jm00398a007 Mu-type opioid receptor 2
8496700 10.1021/np50094a001 Kappa-type opioid receptor 2
6767032 10.1021/jm00176a013 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine