Detailed information for compound 1635218

Basic information

Technical information
  • TDR Targets ID: 1635218
  • Name: N-(4-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazo l-2-amine
  • MW: 224.298 | Formula: C11H13FN2S
  • H donors: 1 H acceptors: 0 LogP: 2.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1(C)CN=C(S1)Nc1ccc(cc1)F
  • InChi: 1S/C11H13FN2S/c1-11(2)7-13-10(15-11)14-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)
  • InChiKey: CUESOELOZGCFPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-5,5-dimethyl-4H-thiazol-2-amine
  • (5,5-dimethyl-4H-thiazol-2-yl)-(4-fluorophenyl)amine
  • NSC684801
  • AIDS-149651
  • AIDS149651
  • N-(4-Fluorophenyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
  • N-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(4-fluorophenyl)amine
  • A4254/0181391
  • Maybridge1_002379
  • ZINC00135019
  • CDS1_000091
  • DivK1c_001131
  • NCI60_030455

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
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0155 0.0099
Brugia malayi beta-lactamase 0.0043 0.0068 0.0076
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1424 0.8918 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0624 0.3704
Loa Loa (eye worm) glutathione reductase 0.0057 0.0155 0.0174
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1424 0.8918 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0624 0.3704
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.0068 0.5
Brugia malayi Thioredoxin reductase 0.0057 0.0155 0.0174
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0068 0.0076
Brugia malayi beta-lactamase family protein 0.0043 0.0068 0.0076
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0155 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1424 0.8918 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0717 0.4324
Brugia malayi glutathione reductase 0.0057 0.0155 0.0174
Loa Loa (eye worm) hypothetical protein 0.0048 0.0098 0.011
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1569 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0098 0.011
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1284 0.8016 0.898
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0717 0.4324
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0068 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0068 0.0076
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Loa Loa (eye worm) beta-lactamase 0.0043 0.0068 0.0076
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0155 0.0099
Toxoplasma gondii thioredoxin reductase 0.0057 0.0155 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0155 0.0174
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1424 0.8918 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0098 0.011
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Plasmodium falciparum thioredoxin reductase 0.0057 0.0155 0.5
Mycobacterium tuberculosis Probable reductase 0.013 0.0624 0.3704
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0141 0.0691 0.0775
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0068 0.5
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0624 0.8565
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1424 0.8918 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Schistosoma mansoni hypothetical protein 0.0164 0.0838 0.094
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0624 0.3704
Mycobacterium ulcerans beta-lactamase 0.0043 0.0068 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0624 0.3704
Mycobacterium ulcerans hypothetical protein 0.0043 0.0068 0.5
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.1424 0.8918 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0155 0.0099
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0068 0.0076
Brugia malayi beta-lactamase family protein 0.0043 0.0068 0.0076
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0068 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0155 0.0581
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1284 0.8016 0.8002
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0068 0.5
Plasmodium falciparum glutathione reductase 0.0057 0.0155 0.5
Plasmodium vivax glutathione reductase, putative 0.0057 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Schistosoma mansoni hypothetical protein 0.0164 0.0838 0.094
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0098 0.011
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1424 0.8918 1
Loa Loa (eye worm) hypothetical protein 0.1424 0.8918 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1424 0.8918 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1424 0.8918 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0155 0.0088
Leishmania major trypanothione reductase 0.0057 0.0155 0.0099
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0717 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0068 0.5
Echinococcus granulosus lysosomal protective protein 0.1424 0.8918 1
Echinococcus granulosus geminin 0.0164 0.0838 0.0871
Echinococcus multilocularis lysosomal protective protein 0.1424 0.8918 0.8911
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0068 0.0076
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0624 0.3704
Echinococcus multilocularis geminin 0.0164 0.0838 0.0776
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0068 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1424 0.8918 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0068 0.0076
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0717 0.4324
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1424 0.8918 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1424 0.8918 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.224 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 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 MDA-N Breast 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 UO-31 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 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 DU-145 Prostate 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
GI50 (functional) -4 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

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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