Details of the Drug

General Information of Drug (ID: DM3R8TX)

Drug Name
ICI-D-8731
Synonyms D-8731; ZD-8731
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 407.5
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C25H21N5O
IUPAC Name
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
Canonical SMILES
CCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H21N5O/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/h3-15H,2,16H2,1H3,(H,27,28,29,30)
InChIKey
FSJCYXPMWQPVOS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132562
ChEBI ID
CHEMBL284536
CAS Number
143494-72-8
TTD ID
D0F2HA
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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 800002063)
2 Vasomotor responses in cyclosporin A-treated rats after chronic angiotensin blockade. Hypertension. 1994 Jun;23(6 Pt 2):832-7.