Drug Information

Drug General Information
Drug ID
D0T1XE
Former ID
DNC001113
Drug Name
Pergularinine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534967]
Structure
Download
2D MOL

3D MOL
Formula
C23H25NO4
Canonical SMILES
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC
InChI
1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)18-12-24-8-4-5-19(24)23(25)22(14)18/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23-/m0/s1
InChIKey
LAWAARLALKUFQQ-CVDCTZTESA-N
CAS Number
CAS 571-70-0
PubChem Compound ID
264751
PubChem Substance ID
403584, 8139839, 11404398, 15449364, 41285941, 53286517, 57400819, 103070214, 103077372, 103553403, 104089153, 104482332, 117554949, 134340108, 134340352, 134345211, 135227520, 162874708, 241111999
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [534967]
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific Transcription
References
Ref 534967Inhibition of dihydrofolate reductase and cell growth activity by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine: the in vitro cytotoxicity of these plant alkaloids and their potential as antimicrobial and anticancer agents. Toxicol In Vitro. 2000 Feb;14(1):53-9.
Ref 534967Inhibition of dihydrofolate reductase and cell growth activity by the phenanthroindolizidine alkaloids pergularinine and tylophorinidine: the in vitro cytotoxicity of these plant alkaloids and their potential as antimicrobial and anticancer agents. Toxicol In Vitro. 2000 Feb;14(1):53-9.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.