Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R9YR
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| Former ID |
DNC014848
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| Drug Name |
BETULINIC ACID
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| Synonyms |
betulinic acid; 472-15-1; Mairin; Betulic acid; NSC 113090; CCRIS 6748; 3-Hydroxylup-20(29)-en-28-oic acid; UNII-4G6A18707N; 3beta-Hydroxy-20(29)-lupaene-28-oic acid; EINECS 207-448-8; NSC677578; als-357; NSC 677578; CHEMBL269277; CHEBI:3087; 3beta-Hydroxy-lup-20(29)-en-28-oic acid; 4G6A18707N; Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-; AK-72848; Lupatic Acid; SMR000445624
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| Drug Type |
Small molecular drug
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| Indication | Melanoma [ICD-11: 2C30; ICD-9: 172] | Phase 1 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C30H48O3
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| Canonical SMILES |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
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| InChI |
1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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| InChIKey |
QGJZLNKBHJESQX-FZFNOLFKSA-N
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| CAS Number |
CAS 472-15-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
10812, 517227, 601507, 8142464, 8189417, 10321196, 11466445, 11467565, 11486049, 14882331, 15404954, 24888370, 26725276, 26758299, 29203890, 43121826, 47662409, 47736602, 47810870, 47885518, 48259358, 48334612, 49698479, 49847021, 50064798, 50111421, 50111422, 53789000, 57315217, 75744230, 85788261, 91702134, 92125340, 92310003, 99300915, 103165295, 103913676, 104332531, 118048690, 121363011, 123067430, 124800209, 129019219, 134352053, 135022033, 136376477, 137185858, 142272021, 143490274, 152059695
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| ChEBI ID |
CHEBI:3087
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Herpes simplex virus DNA polymerase UL30 (HSV UL30) | Target Info | Inhibitor | [2] |
| 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: 3945). | |||
| REF 2 | DNA polymerase beta inhibitors from Tetracera boiviniana. J Nat Prod. 1999 Dec;62(12):1660-3. | |||
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