Detailed information for compound 207306

Basic information

Technical information
  • TDR Targets ID: 207306
  • Name: 8-chloro-4-methyl-1,2,5,6-tetrahydropyrido[1, 2-a]quinolin-3-one
  • MW: 247.72 | Formula: C14H14ClNO
  • H donors: 0 H acceptors: 1 LogP: 2.97 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)CCC1=C(C(=O)CCN21)C
  • InChi: 1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3
  • InChiKey: DWGUKGCMIQALCV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Entamoeba histolytica steroid 5-alpha reductase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania donovani 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania infantum 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) 259 aa 254 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0755 0.2681 0.3662
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0206 0.0569 0.0569
Echinococcus multilocularis sterol O acyltransferase 1 0.0217 0.0613 0.0549
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Loa Loa (eye worm) uridine phosphorylase 0.0755 0.2681 0.3475
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.2656 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0755 0.2681 0.2631
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1734 0.6451 0.6426
Echinococcus multilocularis serotonin receptor 0.0143 0.0329 0.0263
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.1734 0.6451 1
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.2656 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0755 0.2681 0.2681
Echinococcus granulosus biogenic amine 5HT receptor 0.0143 0.0329 0.0263
Schistosoma mansoni methylthioadenosine phosphorylase 0.096 0.3473 0.3428
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.096 0.3473 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.096 0.3473 0.3428
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.2656 1 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.096 0.3473 0.4646
Brugia malayi uridine phosphorylase family protein 0.0755 0.2681 0.2631
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.096 0.3473 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0755 0.2681 0.3662
Entamoeba histolytica hypothetical protein 0.0755 0.2681 0.3662
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0755 0.2681 0.2631
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.2656 1 1
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.1902 0.7096 0.7076
Loa Loa (eye worm) hypothetical protein 0.0266 0.08 0.0696
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Mycobacterium leprae probable uridine phosphorylase 0.0755 0.2681 0.2681
Schistosoma mansoni methylthioadenosine phosphorylase 0.096 0.3473 0.3428
Loa Loa (eye worm) hypothetical protein 0.0196 0.0532 0.0299
Echinococcus multilocularis uridine phosphorylase 1 0.0755 0.2681 0.2631
Echinococcus multilocularis purine nucleoside phosphorylase 0.1902 0.7096 0.7076
Echinococcus multilocularis serotonin receptor 0.0143 0.0329 0.0263
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.2656 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0755 0.2681 0.2631
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.096 0.3473 0.3428
Schistosoma mansoni sterol O-acyltransferase 1 0.0217 0.0613 0.0549
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.0503 0.0438
Mycobacterium tuberculosis Conserved hypothetical protein 0.0755 0.2681 0.2681
Schistosoma mansoni purine nucleoside phosphorylase 0.2656 1 1
Toxoplasma gondii phosphorylase family protein 0.0755 0.2681 0.4093
Toxoplasma gondii phosphorylase family protein 0.0755 0.2681 0.4093
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0755 0.2681 0.3662
Leishmania major methylthioadenosine phosphorylase, putative 0.096 0.3473 1
Brugia malayi MTAP 0.096 0.3473 0.3428
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0755 0.2681 0.2681
Schistosoma mansoni uridine phosphorylase 0.0755 0.2681 0.2631
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0189 0.0503 0.1277
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1734 0.6451 0.6426
Treponema pallidum uridine phosphorylase (udp) 0.1734 0.6451 1
Mycobacterium ulcerans hypothetical protein 0.0189 0.0503 0.0438
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.0503 0.1277
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.0503 0.1277
Schistosoma mansoni uridine phosphorylase 0.0755 0.2681 0.2631
Loa Loa (eye worm) hypothetical protein 0.1902 0.7096 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0755 0.2681 0.2631
Brugia malayi Dopamine receptor protein 1 0.0266 0.08 0.0737
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.096 0.3473 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.1734 0.6451 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Echinococcus granulosus sterol O acyltransferase 1 0.0217 0.0613 0.0549
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0755 0.2681 0.2631
Giardia lamblia UPL-1 0.0755 0.2681 0.2631
Echinococcus granulosus methylthioadenosine phosphorylase 0.096 0.3473 0.3428
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.0503 0.0438
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0755 0.2681 0.2631
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.1734 0.6451 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.2656 1 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0755 0.2681 0.3662
Echinococcus granulosus uridine phosphorylase 1 0.0755 0.2681 0.2631
Trichomonas vaginalis conserved hypothetical protein 0.0755 0.2681 0.2631
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0755 0.2681 0.2631
Trypanosoma brucei uridine phosphorylase 0.0755 0.2681 0.7673
Chlamydia trachomatis AMP nucleosidase 0.0755 0.2681 0.5
Leishmania major nucleoside phosphorylase-like protein 0.0755 0.2681 0.7673
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0755 0.2681 0.2631
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.1734 0.6451 1
Loa Loa (eye worm) hypothetical protein 0.0217 0.0613 0.042
Echinococcus multilocularis purine nucleoside phosphorylase 0.2656 1 1
Plasmodium falciparum purine nucleoside phosphorylase 0.1734 0.6451 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.0503 0.0438
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0755 0.2681 0.7673
Schistosoma mansoni biogenic amine (5HT) receptor 0.0143 0.0329 0.0263
Schistosoma mansoni purine nucleoside phosphorylase 0.2656 1 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.1734 0.6451 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0755 0.2681 0.7673
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0189 0.0503 0.1277
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0755 0.2681 0.2631
Loa Loa (eye worm) hypothetical protein 0.0189 0.0503 0.0257
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0189 0.0503 0.0681
Echinococcus multilocularis purine nucleoside phosphorylase 0.1902 0.7096 0.7076
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0189 0.0503 0.0438
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0755 0.2681 0.7673
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0755 0.2681 0.2631
Echinococcus granulosus purine nucleoside phosphorylase 0.2656 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -8.25 Log of inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]-testosterone. ChEMBL. 15214782
IC50 (binding) = 5.8 nM Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]-testosterone. ChEMBL. 15214782
IC50 (binding) = 5.8 nM Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]-testosterone. ChEMBL. 15214782
IC50 (binding) = 7.6 nM Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287
IC50 (binding) = 7.6 nM Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287
IC50 (binding) = 41 nM Inhibitory activity against Steroid 5-alpha-reductase type I in human scalp homogenates ChEMBL. 11020287
IC50 (binding) = 41 nM Inhibitory activity against Steroid 5-alpha-reductase type I in human scalp homogenates ChEMBL. 11020287
Inhibition (binding) = 20 % Inhibitory activity against steroid 5-alpha-reductase type 2 in human prostate homogenates at 10 microM ChEMBL. 11020287
Inhibition (binding) = 20 % Inhibitory activity against steroid 5-alpha-reductase type 2 in human prostate homogenates at 10 microM ChEMBL. 11020287
Ki (binding) = 2.7 nM Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287
Ki (binding) = 2.7 nM Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287
Log IC50 (binding) = 8.25 Log of inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]-testosterone. ChEMBL. 15214782
logP (ADMET) = 3.73 Partition coefficient (logP) ChEMBL. 15214782

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

2 literature references were collected for this gene.

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