Detailed information for compound 227339

Basic information

Technical information
  • TDR Targets ID: 227339
  • Name: AIDS038323
  • MW: 360.836 | Formula: C22H17ClN2O
  • H donors: 1 H acceptors: 1 LogP: 3.66 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1(O)N2Cc3ccccc3CN=C2c2c1cccc2
  • InChi: 1S/C22H17ClN2O/c23-18-11-9-17(10-12-18)22(26)20-8-4-3-7-19(20)21-24-13-15-5-1-2-6-16(15)14-25(21)22/h1-12,26H,13-14H2
  • InChiKey: DGLUIONDYMRDKN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • NSC700417
  • NCI60_036041
  • 11H-Isoindolo[2,1-b][2,4]benzodiazepin-13-ol, 13-(4-chlorophenyl)-6,13-dihydro-
  • AIDS-038323

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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1355 0.3361 0.2847
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1355 0.3361 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1288 0.3039 0.2499
Trypanosoma cruzi protein farnesyltransferase, putative 0.1288 0.3039 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1355 0.3361 0.2847
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1288 0.3039 0.2499
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1355 0.3361 0.0463
Plasmodium vivax farnesyltransferase beta subunit, putative 0.1288 0.3039 0.904
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1355 0.3361 0.0463
Trypanosoma cruzi protein farnesyltransferase, putative 0.1288 0.3039 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1355 0.3361 0.0463
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1355 0.3361 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.2715 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1355 0.3361 0.2847
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1288 0.3039 0.2499
Leishmania major farnesyltransferase beta subunit 0.1288 0.3039 0.5
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.1288 0.3039 0.2499
Trypanosoma brucei protein farnesyltransferase beta subunit 0.1288 0.3039 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1355 0.3361 0.0463
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.1193 0.2573 0.5
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.2715 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.2715 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.1355 0.3361 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1288 0.3039 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1288 0.3039 0.2499
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.2715 1 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.1288 0.3039 0.2499
Loa Loa (eye worm) hypothetical protein 0.1355 0.3361 0.0463
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1355 0.3361 0.0463
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.2715 1 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.2715 1 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.2715 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1355 0.3361 0.0463

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.352 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) -5.306 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) -5.157 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) -5.147 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
GI50 (functional) -5.098 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) -4.889 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.884 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) -4.878 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.858 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.758 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) -4.748 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (binding) = 12 % Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane at a concentration of 10e-6 M ChEMBL. 12213054
Inhibition (binding) = 12 % Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane at a concentration of 10e-6 M ChEMBL. 12213054
Ratio (functional) < 0.02 Ratio of the IC50 value of Mazindol to that of the compound in guinea pig was determined ChEMBL. 12213054

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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