Detailed information for compound 558042

Basic information

Technical information
  • TDR Targets ID: 558042
  • Name: 2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy -10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17 -dodecahydro-1H-cyclopenta[a]phenanthren-17-y l]ethanone
  • MW: 350.923 | Formula: C21H31ClO2
  • H donors: 1 H acceptors: 2 LogP: 4.66 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O
  • InChi: 1S/C21H31ClO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,23H,4-12H2,1-2H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1
  • InChiKey: PKGVHUPHLJLSIM-JIUSCHCVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 21-chloropregnenolone
  • 30459-98-4
  • 21-Cpg
  • Pregn-5-en-20-one, 21-chloro-3-hydroxy-, (3beta)-

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 cyclins, putative 0.007 0.1862 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1791 0.1791
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0343 0.1273
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0207 1
Schistosoma mansoni hypothetical protein 0.0031 0.0477 0.0429
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0838 0.3813
Loa Loa (eye worm) hypothetical protein 0.0038 0.0736 0.0736
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.0949 0.0904
Schistosoma mansoni hypothetical protein 0.0067 0.1739 0.1697
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0207 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0844 0.4155
Trichomonas vaginalis cyclins, putative 0.0041 0.0844 0.4155
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1791 0.9592
Echinococcus granulosus cyclins 0.0041 0.0844 0.0798
Trypanosoma cruzi cyclin 6, putative 0.007 0.1862 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0207 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0171 0.5405 0.5381
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0736 0.353
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 0.1723 0.1682
Loa Loa (eye worm) hypothetical protein 0.0063 0.161 0.161
Mycobacterium ulcerans hypothetical protein 0.0023 0.0207 1
Trichomonas vaginalis cyclin B, putative 0.007 0.1862 1
Echinococcus multilocularis cyclin B 0.007 0.1862 0.1821
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0477 0.0797
Schistosoma mansoni cyclin B3 0.0171 0.5405 0.5381
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0121 0.0071
Schistosoma mansoni importin beta-1 0.0028 0.0383 0.0335
Brugia malayi calpain family protein 1 0.0063 0.161 0.2913
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0207 0.0864
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0195 0.0428
Loa Loa (eye worm) cyclin domain-containing protein 0.0171 0.5405 0.5405
Entamoeba histolytica cyclin family protein 0.0041 0.0844 0.4383
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0383 0.1839
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0171 0.5405 0.5381
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0121 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.2826 0.2826
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0121 0.0391
Echinococcus granulosus cyclins 0.0041 0.0844 0.0798
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0195 0.0428
Echinococcus multilocularis calpain A 0.0066 0.1723 0.1682
Echinococcus multilocularis chromobox protein 1 0.0068 0.1791 0.175
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0207 0.0864
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1739 0.3154
Schistosoma mansoni hypothetical protein 0.0031 0.0477 0.0429
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.2826 0.5184
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Echinococcus granulosus importin subunit beta 1 0.0028 0.0383 0.0335
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0477 0.0429
Loa Loa (eye worm) hypothetical protein 0.007 0.1862 0.1862
Leishmania major importin beta-1 subunit, putative 0.0023 0.0195 0.0801
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0207 1
Trichomonas vaginalis cyclin B, putative 0.007 0.1862 1
Trichomonas vaginalis cyclin B, putative 0.007 0.1862 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.161 0.161
Plasmodium falciparum importin beta, putative 0.0028 0.0383 0.454
Loa Loa (eye worm) hypothetical protein 0.0097 0.2826 0.2826
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0207 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0207 0.0864
Trypanosoma cruzi cyclin, putative 0.007 0.1862 1
Echinococcus granulosus cyclin B 0.007 0.1862 0.1821
Onchocerca volvulus 0.0044 0.0949 0.4486
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0736 0.3195
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Trichomonas vaginalis cyclin D, putative 0.0041 0.0844 0.4155
Echinococcus granulosus chromobox protein 1 0.0068 0.1791 0.175
Schistosoma mansoni ran 0.0021 0.0121 0.0071
Echinococcus granulosus cyclins 0.0041 0.0844 0.0798
Loa Loa (eye worm) calpain family protein 1 0.0063 0.161 0.161
Loa Loa (eye worm) hypothetical protein 0.0031 0.0477 0.0477
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0207 0.0292
Schistosoma mansoni ran 0.0021 0.0121 0.0071
Entamoeba histolytica Ran family GTPase 0.0021 0.0121 0.0391
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0207 1
Schistosoma mansoni chromobox protein 0.0068 0.1791 0.175
Giardia lamblia Cyclin A 0.0041 0.0844 0.4155
Loa Loa (eye worm) hypothetical protein 0.007 0.1862 0.1862
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0207 1
Loa Loa (eye worm) calpain 0.0019 0.005 0.005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.2826 0.5184
Entamoeba histolytica cyclin family protein 0.0041 0.0844 0.4383
Leishmania major GTP-binding protein, putative 0.0021 0.0121 0.0391
Loa Loa (eye worm) hypothetical protein 0.0044 0.0949 0.0949
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0477 0.0797
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0121 0.0071
Trichomonas vaginalis cyclin B, putative 0.0041 0.0844 0.4155
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0477 0.0477
Echinococcus multilocularis cyclin b3 0.0041 0.0844 0.0798
Plasmodium vivax importin-beta 2, putative 0.0028 0.0383 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0195 0.0428
Echinococcus multilocularis GPCR, family 2 0.0031 0.0477 0.0429
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0383 0.1839
Brugia malayi RNA, U transporter 1 0.008 0.2216 0.4045
Brugia malayi calpain family protein 1 0.0063 0.161 0.2913
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0383 0.0383
Echinococcus granulosus cyclin B3 1 0.0041 0.0844 0.0798
Schistosoma mansoni chromobox protein 0.0068 0.1791 0.175
Trichomonas vaginalis cyclins, putative 0.007 0.1862 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0477 0.0429
Echinococcus multilocularis cyclin B3 1 0.0041 0.0844 0.0798
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0207 0.0864
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0207 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0207 0.5
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0838 0.4117
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.1723 0.1682
Schistosoma mansoni hypothetical protein 0.0031 0.0477 0.0429
Onchocerca volvulus 0.007 0.1862 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0023 0.0207 0.0207
Leishmania major cyclin 0.007 0.1862 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0207 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0121 0.1432
Schistosoma mansoni hypothetical protein 0.0031 0.0477 0.0429
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0121 0.0391
Entamoeba histolytica cyclin, putative 0.007 0.1862 1
Schistosoma mansoni cyclin B 0.007 0.1862 0.1821
Schistosoma mansoni hypothetical protein 0.0301 1 1
Giardia lamblia Hypothetical protein 0.0041 0.0844 0.4155
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0207 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0838 0.4117
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 1 1
Entamoeba histolytica hypothetical protein 0.0023 0.0195 0.0801
Brugia malayi Cyclin, N-terminal domain containing protein 0.0171 0.5405 1
Echinococcus multilocularis snurportin 1 0.0301 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0343 0.1273
Trichomonas vaginalis cyclin B, putative 0.007 0.1862 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0736 0.353
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0207 0.0864
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0195 0.0801
Brugia malayi Heterochromatin protein 1 0.0068 0.1791 0.3251
Entamoeba histolytica cyclin, putative 0.0041 0.0844 0.4383
Trichomonas vaginalis cyclins, putative 0.007 0.1862 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0207 0.0864
Brugia malayi Importin beta-1 subunit 0.0028 0.0383 0.0622
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.007 0.1862 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0477 0.0429
Loa Loa (eye worm) calpain 5 0.0019 0.005 0.005
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0477 0.0429
Loa Loa (eye worm) hypothetical protein 0.0067 0.1739 0.1739
Trichomonas vaginalis cyclin A, putative 0.007 0.1862 1
Echinococcus granulosus cyclins 0.0041 0.0844 0.0798
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0121 0.0132
Loa Loa (eye worm) hypothetical protein 0.0023 0.0207 0.0207
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0207 0.0292
Trypanosoma brucei mitotic cyclin 6 0.007 0.1862 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0949 0.0949
Brugia malayi chromobox protein homolog 3 0.0038 0.0736 0.128
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 0.1723 0.1682
Trypanosoma cruzi cyclin, putative 0.007 0.1862 1
Trichomonas vaginalis cyclins, putative 0.007 0.1862 1
Trichomonas vaginalis cyclin D, putative 0.0041 0.0844 0.4155
Plasmodium vivax calpain, putative 0.0019 0.005 0.1308
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0383 0.7048
Loa Loa (eye worm) hypothetical protein 0.0029 0.0407 0.0407
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0121 0.3154
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.1723 0.1682
Toxoplasma gondii hypothetical protein 0.0031 0.0493 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.1791 0.175
Onchocerca volvulus 0.003 0.0445 0.1438
Loa Loa (eye worm) calpain family protein 1 0.0044 0.0949 0.0949
Giardia lamblia G2/mitotic-specific cyclin B 0.007 0.1862 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.007 0.1862 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0121 0.0391
Loa Loa (eye worm) hypothetical protein 0.003 0.0445 0.0445
Echinococcus granulosus GPCR family 2 0.0031 0.0477 0.0429
Brugia malayi Cyclin, N-terminal domain containing protein 0.007 0.1862 0.3384
Plasmodium falciparum cyclin 0.0041 0.0844 1
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0207 0.0292
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1791 0.9592
Schistosoma mansoni cyclins 0.0041 0.0844 0.0798
Echinococcus multilocularis cyclins 0.0041 0.0844 0.0798
Echinococcus granulosus cyclin b3 0.0041 0.0844 0.0798
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0063 0.161 0.1568
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0383 0.0335
Trichomonas vaginalis cyclins, putative 0.0039 0.0758 0.366
Trichomonas vaginalis cyclin B3, putative 0.0041 0.0844 0.4155
Echinococcus granulosus cyclins 0.0041 0.0844 0.0798
Echinococcus granulosus chromobox protein 1 0.0068 0.1791 0.175
Echinococcus granulosus calpain A 0.0066 0.1723 0.1682
Brugia malayi Cyclin, N-terminal domain containing protein 0.007 0.1862 0.3384

Activities

No activities found for this compound.

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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