Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05CCT
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| Former ID |
DNC002662
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| Drug Name |
3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM
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| Synonyms |
Methylene Blue cation; 3,7-bis(dimethylamino)phenothiazin-5-ium; UNII-ZMZ79891ZH; N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium; ZMZ79891ZH; CHEBI:43830; azul de metileno; Methylthionine HCl; Methylthionine chloride; CHEMBL405110; NSC3089; NSC617593; NSC215213; NCGC00167496-03; NCGC00167496-01; C.I. 52015; Methylthioninium; Methylene Blue parent; AI3-52463; cid_6099; AC1Q4UZ6; AC1L1HI1; SCHEMBL109755; CHEMBL191083; DTXSID3047009; NOCAS_47009; RBTBFTRPCNLSDE-UHFFFAOYSA-N; MolPort-003-700-760
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C16H18N3S+
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| Canonical SMILES |
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
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| InChI |
1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
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| InChIKey |
RBTBFTRPCNLSDE-UHFFFAOYSA-N
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| CAS Number |
CAS 7060-82-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
614145, 5041529, 5195962, 8152594, 14775465, 29215388, 29223246, 33922343, 46530878, 50070615, 50112749, 58027840, 74354871, 79679940, 84358285, 84974712, 91045871, 99444638, 103838456, 104043396, 104098779, 104234220, 104305542, 106030135, 117519252, 124893332, 124893333, 129296290, 135263600, 136291856, 142062266, 142349265, 142499608, 160969221, 169198680, 175267130, 175446686, 177748788, 179109147, 179455937, 223764309, 226483416, 247433364
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| ChEBI ID |
CHEBI:43830
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| ADReCS Drug ID | BADD_D01427 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| Panther Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | ||||
| Nicotinic acetylcholine receptor signaling pathway | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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