Compound Detail
CHEMBL33171
NB-ACETYLTRYPTAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL33171 |
| Name | NB-ACETYLTRYPTAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVUGEQAEQJTCIX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.85
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.31 | 6.23 | 489.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 489.78 | nM | 6.31 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
| Melatonin receptor | Ki | = | 701.0 | nM | 6.15 | Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 22823278 | 10.1021/jf302038a | Plenodomus lingam | 3 |
| 39140432 | 10.1021/acs.jnatprod.4c00334 | BV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 24699367 | 10.1016/j.ejmech.2014.03.055 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 850244 | 10.1021/jm00214a029 | Unchecked | 1 |
| 37506055 | 10.1021/acs.jnatprod.3c00193 | Candida albicans | 1 |
| 37506055 | 10.1021/acs.jnatprod.3c00193 | Cryptococcus neoformans | 1 |
| 38319739 | 10.1021/acs.jnatprod.3c01178 | Skeletonema costatum | 1 |
| 38319739 | 10.1021/acs.jnatprod.3c01178 | Karenia brevis | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1016/S0960-894X(01)80565-5 | Melatonin receptor | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1B | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1A | 1 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| - | 10.1016/S0960-894X(01)80565-5 | Xenopus laevis | 1 |
Data from ChEMBL 36 via Core Engine