Berberal
From DrugPedia: A Wikipedia for Drug discovery
(→External Links) |
|||
(One intermediate revision not shown.) | |||
Line 73: | Line 73: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2129 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2129 Link to BIAdb Database] | ||
+ | [[Category:BIAdb_old]] |
Current revision
Berberal
| |
Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
ChemSpider | |
Chemical data | |
Formula | C40H36N2O12S |
Mol. mass | 768.78504 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
[edit] Description
An alkaloid with weak antibiotic properties. Substrate for MDR efflux pumps. Antimicrobial activities of berberine is potentiated by the MDR inhibitor 5´-methoxyhydnocarpin (5´-MHC). Berberine upregulates the expression of Pgp in hepatoma cells. Treatment with berberine potentially results in the reduced accumulation of chemotherapeutic drugs.
[edit] General Properties
*Molecular Weight
768.78504
*Molecular Formula
C40H36N2O12S
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+] 3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Topological Polar Surface Area
162
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 26400ug/kg (26.4mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 intravenous 8200ug/kg (8.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
mouse LD50 subcutaneous 13200ug/kg (13.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.
frog LDLo subcutaneous 20mg/kg (20mg/kg) "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.