Detailed information for compound 1623956

Basic information

Technical information
  • TDR Targets ID: 1623956
  • Name: 2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid
  • MW: 267.279 | Formula: C16H13NO3
  • H donors: 2 H acceptors: 3 LogP: 3.23 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2c(c(c1C)C(=O)O)[nH]c1c(c2=O)cccc1
  • InChi: 1S/C16H13NO3/c1-8-7-11-14(13(9(8)2)16(19)20)17-12-6-4-3-5-10(12)15(11)18/h3-7H,1-2H3,(H,17,18)(H,19,20)
  • InChiKey: DPTMTHVWLUALQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-keto-2,3-dimethyl-10H-acridine-4-carboxylic acid
  • NCI60_006373
  • NSC621867

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0219 0.1576 0.4174
Onchocerca volvulus 0.0042 0.0142 0.7761
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0183 0.0139
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0073 0.0386 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0183 0.0139
Entamoeba histolytica hypothetical protein 0.0066 0.0329 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0107 0.0668 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0172 0.0347
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0107 0.0668 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 1
Onchocerca volvulus 0.0042 0.0142 0.7761
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0142 0.0593
Plasmodium falciparum thioredoxin reductase 0.0042 0.0141 0.3647
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0042 0.0142 0.0097
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0048 0.0183 0.2739
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0219 0.1576 0.1538
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0097 0.0581 0.8691
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0066 0.0329 0.0286
Plasmodium falciparum glutathione reductase 0.0042 0.0141 0.3647
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Entamoeba histolytica hypothetical protein 0.0066 0.0329 1
Echinococcus granulosus tumor protein p63 0.0313 0.2339 0.2305
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0042 0.0142 0.0263
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0141 0.0096
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0048 0.0183 0.0802
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Leishmania major trypanothione reductase 0.0042 0.0141 0.0588
Plasmodium vivax glutathione reductase, putative 0.0042 0.0141 0.3647
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0231 0.1674 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0386 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0172 0.0347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Leishmania major cathepsin L-like protease 0.0116 0.074 0.427
Entamoeba histolytica hypothetical protein 0.0066 0.0329 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0141 0.0096
Schistosoma mansoni hypothetical protein 0.0066 0.0329 0.0286
Onchocerca volvulus 0.0042 0.0142 0.7761
Echinococcus multilocularis survival motor neuron protein 1 0.0219 0.1576 0.1538
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0142 0.0593
Loa Loa (eye worm) hypothetical protein 0.0073 0.0386 0.0929
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.0581 0.8342
Loa Loa (eye worm) hypothetical protein 0.0032 0.0054 0.0024
Plasmodium falciparum cysteine proteinase falcipain 3 0.0031 0.0045 0.1163
Schistosoma mansoni hypothetical protein 0.0045 0.016 0.0116
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0042 0.0142 0.0014
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.016 0.0314
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0066 0.0329 0.0286
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0172 0.0347
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0073 0.0386 0.0342
Trypanosoma cruzi cysteine peptidase, putative 0.0116 0.074 0.427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0031 0.0045 0.1163
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0073 0.0386 0.5774
Loa Loa (eye worm) hypothetical protein 0.0483 0.3714 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0031 0.0045 0.1163
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0231 0.1674 0.1637
Leishmania major cathepsin L-like protease 0.0116 0.074 0.427
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 0.5
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0042 0.0142 0.0593
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0141 0.0261
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.0581 0.8342
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0141 0.0588
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Echinococcus multilocularis microtubule associated protein 2 0.1258 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0107 0.0668 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0172 0.0347
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0054 0.0024
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0042 0.0142 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0142 0.0263
Mycobacterium tuberculosis Probable reductase 0.0097 0.0581 0.8342
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0042 0.0142 0.0593
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Brugia malayi glutathione reductase 0.0042 0.0141 0.0261
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 0.5
Leishmania major carnitine palmitoyltransferase-like protein 0.0042 0.0142 0.0593
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0042 0.0142 0.0097
Trypanosoma cruzi cysteine peptidase, putative 0.0116 0.074 0.427
Loa Loa (eye worm) hypothetical protein 0.0046 0.0169 0.0339
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0106 0.0659 0.3767
Brugia malayi Probable ClpP-like protease 0.0073 0.0386 0.0929
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0042 0.0142 0.0263
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0141 0.3647
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.0581 0.8342
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0042 0.0142 0.0593
Onchocerca volvulus 0.0046 0.0169 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0091 0.0539 0.3031
Schistosoma mansoni cellular tumor antigen P53 0.0046 0.0169 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.0045 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 0.5
Schistosoma mansoni microtubule-associated protein tau 0.1258 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0116 0.074 0.427
Plasmodium vivax vivapain-2 0.0031 0.0045 0.1163
Onchocerca volvulus 0.0042 0.0142 0.7761
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0142 0.0593
Schistosoma mansoni survival motor neuron protein 0.0045 0.016 0.0116
Echinococcus multilocularis tumor protein p63 0.0313 0.2339 0.2305
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 1
Brugia malayi Thioredoxin reductase 0.0042 0.0141 0.0261
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0483 0.3714 1
Loa Loa (eye worm) glutathione reductase 0.0042 0.0141 0.0261
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.0581 0.8342
Plasmodium vivax vivapain-2 0.0031 0.0045 0.1163
Echinococcus granulosus choline O acetyltransferase 0.0042 0.0142 0.0097
Leishmania major carnitine/choline acetyltransferase, putative 0.0042 0.0142 0.0593
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0073 0.0386 0.0342
Brugia malayi Choline O-acetyltransferase 0.0042 0.0142 0.0263
Schistosoma mansoni hypothetical protein 0.0032 0.0054 0.0009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Toxoplasma gondii thioredoxin reductase 0.0042 0.0141 0.3647
Brugia malayi hypothetical protein 0.0066 0.0329 0.0775
Brugia malayi Choline O-acetyltransferase 0.0042 0.0142 0.0263
Schistosoma mansoni choline o-acyltransferase 0.0042 0.0142 0.0097
Trypanosoma cruzi cruzipain precursor, putative 0.0116 0.074 0.427
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0116 0.074 1
Entamoeba histolytica hypothetical protein 0.0066 0.0329 1
Toxoplasma gondii cathepsin CPL 0.0031 0.0045 0.1163
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0042 0.0142 0.0014
Schistosoma mansoni peptidase Clp (S14 family) 0.0073 0.0386 0.0342
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0042 0.0142 0.0593
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0048 0.0183 0.0802
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0142 0.0593
Echinococcus multilocularis choline O acetyltransferase 0.0042 0.0142 0.0097
Schistosoma mansoni choline o-acyltransferase 0.0042 0.0142 0.0097
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0045 0.5
Onchocerca volvulus 0.0045 0.016 0.926
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0142 0.0014
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0042 0.0142 0.0014
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0231 0.1674 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0042 0.0142 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0142 0.0593
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.0581 0.8342
Schistosoma mansoni transcription factor LCR-F1 0.0066 0.0329 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0386 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0231 0.1674 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0042 0.0142 0.0263
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0386 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0042 0.0142 0.0263
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0231 0.1674 0.1637
Leishmania major cathepsin L-like protease 0.0116 0.074 0.427
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0042 0.0142 0.0593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0045 0.5
Brugia malayi hypothetical protein 0.0219 0.1576 0.4174
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0042 0.0142 0.0593
Mycobacterium tuberculosis Probable oxidoreductase 0.0107 0.0668 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.358 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.15 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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