PRL
PROFLAVIN
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | PROFLAVIN |
Systematic Name (OpenEye OEToolkits) | acridine-3,6-diamine |
Formula | C13 H11 N3 |
Molecular Weight | 209.247 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c3c(cc2c1cc(N)cc2)ccc(c3)N |
SMILES | CACTVS | 3.341 | Nc1ccc2cc3ccc(N)cc3nc2c1 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc3ccc(cc3n2)N)N |
Canonical SMILES | CACTVS | 3.341 | Nc1ccc2cc3ccc(N)cc3nc2c1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc3ccc(cc3n2)N)N |
InChI | InChI | 1.03 | InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2 |
InChIKey | InChI | 1.03 | WDVSHHCDHLJJJR-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB01123 |
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Name | Proflavine |
Groups | approved |
Description | 3,6-Diaminoacridine. Topical antiseptic used mainly in wound dressings. |
Synonyms |
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Brand Names |
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Indication | Topical antiseptic used mainly in wound dressings. |
Categories |
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CAS number | 92-62-6 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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DNA | - | unknown | intercalation |
Prothrombin | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE... | unknown | other/unknown |
HTH-type transcriptional regulator QacR | MNLKDKILGVAKELFIKNGYNATTTGEIVKLSESSKGNLYYHFKTKENLF... | unknown | |
TetR family transcriptional repressor LfrR | MTSPSIESGARERTRRAILDAAMLVLADHPTAALGDIAAAAGVGRSTVHR... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 7099 |
ChEMBL | CHEMBL55400 |
ChEBI | CHEBI:8452 |
CCDC/CSD | PROFLV, OVERAL |