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Pterostilbene

2D Structure
3D Structure
Source:
General
Identifier MM16985
SMILES COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1
InChIKey VLEUZFDZJKSGMX-UHFFFAOYSA-N
MW [Da] 256.3

Automatically obtained from RDkit software.
LogP 3.58

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

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ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
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+23 more

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Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
ABCB1
Non-inhibitor
4.38

Roberti M, Pizzirani D, Recanatini M, Simoni D, Grimaudo S, Di Cristina A, Abbadessa V, Gebbia N, Tolomeo M.: Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem, Volume 49 (10), 2006

Roberti M, Pizzirani D, Recanatini M, Simoni D, Grimaudo S, Di Cristina A, Abbadessa V, Gebbia N, Tolomeo M.: Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem, Volume 49 (10), 2006

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024