Detailed information for compound 155703

Basic information

Technical information
  • TDR Targets ID: 155703
  • Name: 1-(7-methyl-4H-indeno[1,2-b]pyrrol-1-yl)propa n-2-amine
  • MW: 226.317 | Formula: C15H18N2
  • H donors: 1 H acceptors: 0 LogP: 2.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1ccc2c1c1cc(C)ccc1C2)N
  • InChi: 1S/C15H18N2/c1-10-3-4-12-8-13-5-6-17(9-11(2)16)15(13)14(12)7-10/h3-7,11H,8-9,16H2,1-2H3
  • InChiKey: SODYJZFWKMYTAY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(7-methyl-4H-indeno[1,2-b]pyrrol-1-yl)-2-propanamine
  • [1-methyl-2-(7-methyl-4H-indeno[1,2-b]pyrrol-1-yl)ethyl]amine
  • 1-(7-methyl-4H-indeno[3,2-b]pyrrol-1-yl)propan-2-amine
  • [1-methyl-2-(7-methyl-4H-indeno[3,2-b]pyrrol-1-yl)ethyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Serotonin 2c (5-HT2c) receptor   460 aa 417 aa 21.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2c (5-HT2c) receptor   460 aa 412 aa 19.9 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 2c (5-HT2c) receptor   460 aa 408 aa 20.8 %
Echinococcus granulosus g protein coupled receptor Serotonin 2c (5-HT2c) receptor   460 aa 412 aa 19.7 %
Echinococcus granulosus g protein coupled receptor Serotonin 2c (5-HT2c) receptor   460 aa 409 aa 21.8 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2c (5-HT2c) receptor   460 aa 409 aa 21.5 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 2c (5-HT2c) receptor   460 aa 427 aa 28.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 2c (5-HT2c) receptor   460 aa 405 aa 31.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.1584 1 0.5
Onchocerca volvulus 0.048 0 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.048 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1584 1 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.1584 1 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1584 1 0.5
Brugia malayi Serotonin receptor 0.112 0.5796 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1584 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = -6.3 Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat ChEMBL. 9276022
ED50 (functional) > 10 mg kg-1 Induction of penile erection in rats after subcutaneous administration, indicative of 5-HT 2c receptor activation ChEMBL. 9276022
ED50 (functional) > 10 mg kg-1 Induction of penile erection in rats after subcutaneous administration, indicative of 5-HT 2c receptor activation ChEMBL. 9276022
Efficacy (functional) = 1 Intrinsic 5-HT 2c receptor activity as induced IP3 turn-over in vitro in rat choroid plexus ChEMBL. 9276022
Ki (binding) = -8.1 Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]-DOB ChEMBL. 9276022
Ki (binding) = -7.2 Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]-5-HT ChEMBL. 9276022
Log EC50 (functional) = 6.3 Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat ChEMBL. 9276022
Log Ki (binding) = 7.2 Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]-5-HT ChEMBL. 9276022
Log Ki (binding) = 8.1 Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]-DOB ChEMBL. 9276022
Selectivity ratio (binding) = 8 Selectivity ratio was measured as pKi ratio of 5-HT2C to that of 5-HT2A receptor ChEMBL. 9276022

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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