Details of the Drug

General Information of Drug (ID: DM4YQDX)

• Drug Name: TJN-220
• Synonyms: O-Ethylfangchinoline; O-ethylfangchinoline, Tsumura; 7-O-ethylfangchinoline, Tsumura

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 636.8
  Logarithm of the Partition Coefficient (xlogp); 6.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C39H44N2O6
  IUPAC Name: (1S,14S)-21-ethoxy-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
  Canonical SMILES: CCOC1=C(C=C2CCN([C@@H]3C2=C1OC4=C(C=C5CCN([C@H](C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
  InChI: InChI=1S/C39H44N2O6/c1-7-45-38-36(44-6)22-27-15-17-41(3)31-19-25-10-13-32(42-4)34(20-25)46-28-11-8-24(9-12-28)18-30-29-23-35(47-39(38)37(27)31)33(43-5)21-26(29)14-16-40(30)2/h8-13,20-23,30-31H,7,14-19H2,1-6H3/t30-,31-/m0/s1
  InChIKey: VNBSKOLSTYLJBG-CONSDPRKSA-N
• Cross-matching ID:
  PubChem CID: 3081672
  CAS Number: 118160-59-1
  TTD ID: D00XRI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcitonin receptor (CALCR)	TTLWS2O	CALCR_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypertension
• ICD Disease Classification: BA00-BA04

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Calcitonin receptor (CALCR)	DTT	CALCR	7.52E-03	0.17	2.26

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002586)
• [2] Evaluation of the long-lasting antihypertensive action of 7-O-ethylfangchinoline. Jpn J Pharmacol. 1994 Sep;66(1):35-46.