Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00305
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| Drug Name |
Bromsulphthalein
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| Synonyms |
BSP; bromosulfophthalein; sulfobromophthalein
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD11:N.A.] | Investigative | ||||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C20H8Br4Na2O10S2
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| Canonical SMILES |
C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
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| InChI |
InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
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| InChIKey |
GHAFORRTMVIXHS-UHFFFAOYSA-L
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| CAS Number |
CAS 71-67-0
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| Pharmaceutical Properties | Molecular Weight | 838 | Topological Polar Surface Area | 198 | ||
| Heavy Atom Count | 38 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 10 | |||
| PubChem CID | ||||||
| PubChem SID |
103590221
,104311619
,118814473
,126408313
,126677959
,134972305
,135611045
,137124683
,143829181
,144205181
,14791580
,162096433
,164758890
,170465816
,178101232
,178101233
,179323854
,223679578
,226803076
,241292467
,29225277
,3137121
,48416580
,51072885
,53789120
,57118904
,57323318
,7849270
,79290934
,8153960
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| ChEBI ID |
CHEBI:63827
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1A2 | Transporter Info | Organic anion transporting polypeptide 1A2 | Substrate | [1] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [1] | ||
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [1] | ||
| OATP2B1 | Transporter Info | Organic anion transporting polypeptide 2B1 | Substrate | [2] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | OATP1A2 | Transporter Info | Km =20 microM | Oocytes-OATP1A2 | [3] | |
| OATP1B1 | Transporter Info | Km =0.14 microM | Human embryonic kidney cells (HEK293)-OATP1B1 | [4] | ||
| OATP1B1 | Transporter Info | Km =0.3 microM | Oocytes-OATP1B1 | [1] | ||
| OATP1B3 | Transporter Info | Km =3.3 microM | Human embryonic kidney cells (HEK293)-OATP1B3 | [4] | ||
| OATP1B3 | Transporter Info | Km =0.4 microM | Oocytes-OATP1B3 | [1] | ||
| OATP2B1 | Transporter Info | Km =0.7 microM | Oocytes-OATP2B1 | [1] | ||
| References | ||||||
| 1 | Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33. | |||||
| 2 | Organic anion-transporting polypeptide (OATP) 2B1 contributes to the cellular uptake of theaflavin. Drug Metab Pharmacokinet. 2017 Apr;32(2):145-150. | |||||
| 3 | Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Gastroenterology. 1995 Oct;109(4):1274-82. | |||||
| 4 | Hepatic uptake of bilirubin and its conjugates by the human organic anion transporter SLC21A6. J Biol Chem. 2001 Mar 30;276(13):9626-30. | |||||
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