Compound Detail
CHEMBL36591
ALAPROCLATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL36591 |
| Name | ALAPROCLATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FZSPJBYOKQPKCD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
5
Known Names
1
Indications
Molecular Properties
255.8
MW (Da)
2.55
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Depressive Disorder
ATC Classification
N06AB07
alaproclate
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 2 meas. best 6.16
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Rattus norvegicus | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition of serotonin (5-HT) uptake in crude rat brain synaptosomes | 3257267 |
| Unchecked | EC50 | = | 2000.0 | nM | 5.7 | Induction of SirT2 production in mouse N2a cells transfected with ApoE4 assessed... | 33139110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 2 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 2 |
| 3257267 | 10.1021/jm00396a030 | Rattus norvegicus | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 3257267 | 10.1021/jm00396a030 | Unchecked | 1 |
| 21624500 | 10.1016/j.drudis.2011.05.007 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 33139110 | 10.1016/j.ejmech.2020.112915 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine