Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04JTY
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| Former ID |
DNC001434
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| Drug Name |
Thiolactomycin
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| Synonyms |
Antibiotic 2-200; 82079-32-1; (R)-(+)-Thiolactomycin; (+)-Thiolactomycin; BRN 4423670; 4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE; 2(5H)-Thiophenone, 3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-, (R-(E))-; (R-(E))-3,5-Dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-2(5H)-thiophenone; TLM; 2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadienyl)-, (S-(E))-; (2R)-5-hydroxy-2,4-dimethyl-2-[(1E)-2-methylbuta-1,3-dienyl]thiophen-3-one; (5R)-Thiolactomycin; 2vb8
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| Drug Type |
Small molecular drug
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| Indication | Malaria [ICD-11: 1F40-1F45; ICD-10: B50-B64, B54] | Investigative | [1] | |
| Urinary tract infection [ICD-11: GC08; ICD-10: N39, N39.0] | Investigative | [2] | ||
| Structure |
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Download2D MOL |
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| Formula |
C11H14O2S
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| Canonical SMILES |
CC1=C(C(SC1=O)(C)C=C(C)C=C)O
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| InChI |
1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1
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| InChIKey |
SYQNUQSGEWNWKV-XUIVZRPNSA-N
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| CAS Number |
CAS 82079-32-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
13347, 621341, 819775, 7890788, 12015257, 16288707, 17405466, 24278631, 32964498, 36888281, 46391893, 46491024, 46505720, 48169378, 50054156, 50106765, 50106766, 52110779, 53778014, 53813060, 57391946, 57404693, 84975004, 92304107, 103551068, 104065270, 104634710, 121361562, 124750089, 134338703, 134339547, 134340616, 135030651, 137245183, 140421192, 160967345, 163564862, 164187185, 179678465, 184534105, 208013918, 237212483, 238329620, 241163324
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| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Beta-ketoacyl-ACP synthase I (Bact fabB) | Target Info | Binder | [1] |
| Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) | Target Info | Binder | [3] | |
| Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF) | Target Info | Binder | [1] | |
| Plasmodium Enoyl-ACP reductase (Malaria fabI) | Target Info | Inhibitor | [4] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36. | |||
| REF 2 | The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. | |||
| REF 3 | The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51. | |||
| REF 4 | Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97. | |||
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