Details of the Drug

General Information of Drug (ID: DMXM3B4)

Drug Name
TEI-9874
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 495.6
Logarithm of the Partition Coefficient (xlogp) 7.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C31H29NO5
IUPAC Name
2-[[2-[4-(6-cyclohexyloxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid
Canonical SMILES
C1CCC(CC1)OC2=CC3=C(C=C2)C=C(C=C3)OC4=CC=C(C=C4)CC(=O)NC5=CC=CC=C5C(=O)O
InChI
InChI=1S/C31H29NO5/c33-30(32-29-9-5-4-8-28(29)31(34)35)18-21-10-14-25(15-11-21)37-27-17-13-22-19-26(16-12-23(22)20-27)36-24-6-2-1-3-7-24/h4-5,8-17,19-20,24H,1-3,6-7,18H2,(H,32,33)(H,34,35)
InChIKey
XNTHZBOCPVDIQB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9935533
TTD ID
D0C3TE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Immunoglobulin E (IgE) TTYJQTF 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 800012536)
2 Effect of TEI-9874, an inhibitor of immunoglobulin E production, on allergen-induced asthmatic model in rats. Eur J Pharmacol. 2000 Aug 25;402(3):287-95.