Compound Detail
CHEMBL100940
NALTRIBEN Enter ChEMBL ID:
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Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL100940 |
| Name | NALTRIBEN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHVWWEYETMPAMX-IFKAHUTRSA-N |
3
Targets
3
Activities
1
Assay Types
9
PK Parameters
20
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.84
ALogP
5
HBA
2
HBD
66.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 10.89 | 10.89 | 0.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.82 | 6.82 | 152.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.27 | - | - |
| Ke | 27.0 | - | Cavia porcellus |
| Ke | 48.0 | - | Cavia porcellus |
| Ke | 1.1 | nM | - |
| Ke | 27.0 | nM | Cavia porcellus |
| Ke | 48.0 | nM | Cavia porcellus |
| Ke | 0.27 | nM | - |
| Ke | 27.0 | nM | Cavia porcellus |
| Ke | 48.0 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.013 | nM | 10.89 | Compound was evaluated for binding affinity at Opioid receptor delta 1 in guinea... | 1648136 |
| Mu-type opioid receptor | Ki | = | 19.0 | nM | 7.72 | Compound was evaluated for binding affinity at Opioid receptor mu 1 in guinea pi... | 1648136 |
| Kappa-type opioid receptor | Ki | = | 152.0 | nM | 6.82 | Compound was evaluated for binding affinity of Opioid receptor kappa 1 in guinea... | 1648136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1851846 | 10.1021/jm00109a027 | Mu-type opioid receptor | 5 |
| 1851846 | 10.1021/jm00109a027 | Kappa-type opioid receptor | 5 |
| 15163177 | 10.1021/jm0342358 | Mus musculus | 4 |
| 1851846 | 10.1021/jm00109a027 | Delta-type opioid receptor | 3 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B7 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 21764311 | 10.1016/j.bmcl.2011.06.085 | Plasmodium chabaudi | 2 |
| 1648136 | 10.1021/jm00110a001 | Opioid receptors; delta & kappa | 2 |
| 1648136 | 10.1021/jm00110a001 | Opioid receptors; mu & delta | 2 |
| 1648136 | 10.1021/jm00110a001 | Kappa-type opioid receptor | 2 |
| 1648136 | 10.1021/jm00110a001 | Mu-type opioid receptor | 2 |
| 1648136 | 10.1021/jm00110a001 | Delta-type opioid receptor | 2 |
| 2828619 | 10.1021/jm00397a001 | Opioid receptors; delta & kappa | 1 |
| 2828619 | 10.1021/jm00397a001 | Opioid receptors; mu & delta | 1 |
| 17367120 | 10.1021/jm0612463 | Delta-type opioid receptor | 1 |
| 2828619 | 10.1021/jm00397a001 | Kappa-type opioid receptor | 1 |
| 2828619 | 10.1021/jm00397a001 | Mu-type opioid receptor | 1 |
| 24613457 | 10.1016/j.bmc.2014.02.015 | Delta-type opioid receptor | 1 |
| 28662966 | 10.1016/j.bmc.2017.06.026 | Trichomonas vaginalis | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine