Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03PBN
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| Former ID |
DIB021039
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| Drug Name |
tetrahydrodeoxycorticosterone
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| Synonyms |
Tetrahydrodeoxycorticosterone; 567-02-2; 3alpha,21-Dihydroxy-5alpha-pregnan-20-one; Allotetrahydrodeoxycorticosterone; 5alpha-THDOC; 5-alpha-THDOC; 5alpha-Pregnane-3alpha,21-diol-20-one; CHEMBL1256760; 21-Hydroxyallopregnanolone; CHEBI:34461; 3a,21-dihydroxy-5a-pregnan-20-one; 2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone; THDOC; A-Pregnane-3; A,21-diol-20-one; A,21-Dihydroxy-5; A-pregnan-20-one; EINECS 209-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C21H34O3
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| Canonical SMILES |
CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
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| InChI |
1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
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| InChIKey |
CYKYBWRSLLXBOW-GDYGHMJCSA-N
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| CAS Number |
CAS 567-02-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
586302, 10232217, 14976458, 24278624, 44431760, 47659926, 48256829, 50075676, 57337497, 78197754, 85300952, 85788550, 103850599, 104365174, 117567338, 121382726, 123084512, 126523645, 126689203, 126737524, 127696019, 135057736, 137241797, 141780951, 142573215, 160867565, 162228614, 172835929, 178101138, 179236197, 223442462, 223674298, 226684663, 241097826, 252377986
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| ChEBI ID |
CHEBI:34461
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-2 (GABRA2) | Target Info | Modulator (allosteric modulator) | [2] |
| GABA(A) receptor alpha-3 (GABRA3) | Target Info | Modulator (allosteric modulator) | [3] | |
| GABA(A) receptor alpha-5 (GABRA5) | Target Info | Modulator (allosteric modulator) | [4] | |
| GABA(A) receptor gamma-3 (GABRG3) | Target Info | Modulator (allosteric modulator) | [5] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Retrograde endocannabinoid signaling | ||||
| GABAergic synapse | ||||
| Morphine addiction | ||||
| Nicotine addiction | ||||
| Reactome | Ligand-gated ion channel transport | |||
| GABA A receptor activation | ||||
| WikiPathways | Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||
| Iron uptake and transport | ||||
| SIDS Susceptibility Pathways | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4321). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 405). | |||
| REF 3 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 406). | |||
| REF 4 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 408). | |||
| REF 5 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 415). | |||
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