Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W2SV
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| Former ID |
DIB020054
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| Drug Name |
Inhibitor 1 [Colombo et al., 2012]
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| Synonyms |
CHEMBL2086421; inhibitor 1 [Colombo et al., 2012]; GTPL8624; SCHEMBL14232816; BDBM50420334
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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 |
C27H42N12O5S
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| Canonical SMILES |
CC(C(=O)NC(CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)N
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| InChI |
1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1
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| InChIKey |
JRNGHBUUFQDBPT-LAQRGFTBSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Airway trypsin-like protease (TMPRSS11D) | Target Info | Inhibitor | [2] |
| Suppressor of tumorigenicity 14 protein (ST14) | Target Info | Inhibitor | [3] | |
| Transmembrane protease serine 6 (TMPRSS6) | Target Info | Inhibitor | [4] | |
| KEGG Pathway | MicroRNAs in cancer | |||
| NetPath Pathway | TCR Signaling Pathway | |||
| 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: 8624). | |||
| 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: 2420). | |||
| 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: 2418). | |||
| 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: 2422). | |||
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