Drug Information

General Information
Drug ID
DR00605
Drug Name
Pyronaridine
Synonyms
2-Methoxy-7-chloro-10-(3',5'-bis(pyrrolin-1-ylmethyl)-4'-hydroxyphenylamino)benzo(b)-1,5-naphthyridine; 4-((7-Chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)phenol; 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol; Benzonaphthyridine 7351; Malaridine; Pyronaridine phosphate salt
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Formula
C29H32ClN5O2
Canonical SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6
InChI
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
InChIKey
DJUFPMUQJKWIJB-UHFFFAOYSA-N
CAS Number
CAS 74847-35-1
Pharmaceutical Properties Molecular Weight 518 Topological Polar Surface Area 73.8
Heavy Atom Count 37 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
XLogP
5.3
PubChem CID
107771
PubChem SID
103210597 ,113993147 ,117793601 ,124952509 ,125325465 ,131801476 ,134338695 ,135066549 ,135959505 ,137006529 ,144233411 ,14836281 ,163667393 ,166240084 ,174006948 ,175265429 ,179148054 ,198992732 ,223705403 ,223718772 ,226596943 ,227839360 ,241134503 ,251912260 ,251916561 ,252633485 ,37375204 ,39472434 ,50065153 ,57364048 ,76896800 ,90452320 ,93625661
TTD Drug ID
D0E0KQ

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