Detailed information for compound 536777
Basic information
Technical information
- TDR Targets ID: 536777
- Name: Protriptyline
- MW: 299.838 | Formula: C19H22ClN
-
H donors: 1
H acceptors: 0
LogP: 5.22
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CNCCCC1c2ccccc2C=Cc2c1cccc2.Cl
- InChi: 1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H
- InChiKey: OGQDIIKRQRZXJH-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1225-55-4
- N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine hydrochloride
- NSC169912
- Vivactyl
- WLN: L C676 BHJ B3M1 &GH
- D00484
- Protriptyline hydrochloride (USP)
- Vivactil (TN)
- P8813_SIGMA
- 5H-Dibenzo[a,d]cyclohepten-5-propylamine, N-methyl-, hydrochloride
- MLS000069697
- Triptil
- Vivactil
- 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-, hydrochloride
- SMR000058503
- 5-[3-(Methylamino)propyl]-5H-dibenzo[a,d]cycloheptene hydrochloride
- Protriptyline hydrochloride
- EU-0100974
- 5H-Dibenzo[a,d]cycloheptene-5-propylamine, N-methyl-, hydrochloride
- 5H-Dibenzo(a,d)cycloheptene-5-propanamine, N-methyl-, hydrochloride
- 5H-Dibenzo(a,d)cycloheptene-5-propylamine, N-methyl-, hydrochloride (8CI)
- Concordin
- EINECS 214-956-3
- MK-240
- MK-240 (VAN)
- Maximed
- N-Methyl-5H-dibenzo(a,d)cycloheptene-5-propylamine hydrochloride
- NSC 169912
- Normethyl EX4442
- Protriptyline hydrochloride [USAN]
- Triptil (VAN)
- Triptil hydrochloride
- Triptyl
- 3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloride
- CHEBI:8598
- 5-(3-Methylaminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride
- 5H-DIBENZO(a,d)CYCLOHEPTEN-5-PROPYLAMINE, N-METHYL-, HYDROCHLORIDE
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Escherichia coli | endonuclease IV with intrinsic 3'-5' exonuclease activity | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Wolbachia endosymbiont of Brugia malayi | dihydroorotate dehydrogenase 2 | 0.0162034 | 0.5 | 0.5 |
| Leishmania major | dihydroorotate dehydrogenase | 0.0162034 | 0.5 | 0.5 |
| Mycobacterium leprae | Probable dihydroorotate dehydrogenase PyrD | 0.0162034 | 0.5 | 0.5 |
| Brugia malayi | Dihydroorotate dehydrogenase, mitochondrial precursor, putative | 0.0162034 | 0.5 | 0.5 |
| Mycobacterium ulcerans | dihydroorotate dehydrogenase 2 | 0.0162034 | 0.5 | 0.5 |
| Trypanosoma brucei | dihydroorotate dehydrogenase (fumarate) | 0.0162034 | 0.5 | 0.5 |
| Trypanosoma cruzi | dihydroorotate dehydrogenase (fumarate), putative | 0.0162034 | 0.5 | 0.5 |
| Schistosoma mansoni | dihydroorotate dehydrogenase | 0.0162034 | 0.5 | 0.5 |
| Plasmodium falciparum | dihydroorotate dehydrogenase | 0.0162034 | 0.5 | 0.5 |
| Mycobacterium tuberculosis | Probable dihydroorotate dehydrogenase PyrD | 0.0162034 | 0.5 | 0.5 |
| Toxoplasma gondii | dihydroorotate dehydrogenase reveal, putative | 0.0162034 | 0.5 | 0.5 |
| Trypanosoma cruzi | dihydroorotate dehydrogenase, putative | 0.0162034 | 0.5 | 0.5 |
| Brugia malayi | Dihydroorotate dehydrogenase, mitochondrial precursor, putative | 0.0162034 | 0.5 | 0.5 |
| Trypanosoma cruzi | dihydroorotate dehydrogenase, putative | 0.0162034 | 0.5 | 0.5 |
| Plasmodium vivax | dihydroorotate dehydrogenase, mitochondrial precursor, putative | 0.0162034 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = -5.3 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.2 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.2 | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -4.9 | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| Potency (functional) | 0.1032 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 1.122 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | = 1.4125 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.9811 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.7157 uM | PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488774] | ChEMBL. | No reference |
| Potency (functional) | 14.7157 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 18.3564 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.7083 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | = 30.1313 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 33.4889 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Validation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | 19734910 | |
| Homo sapiens | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.