General Information of Drug (ID: DMZYA9E)

Drug Name
ICI-D-6888
Synonyms ZD-6888
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 448
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C25H26ClN5O
IUPAC Name
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
Canonical SMILES
CCC1=CC(=C2CCCCC2=N1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.Cl
InChI
InChI=1S/C25H25N5O.ClH/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25;/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30);1H
InChIKey
RPRNBLHRKYAXSM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19935771
CAS Number
138620-17-4
TTD ID
D0L3EW
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin II receptor (AGTR) TTGN1ZA NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 800002319)
2 WO patent application no. 1995,0216,09, Treatment of normotensive glaucoma with angiotensin ii antagonists.