Details of the Drug

General Information of Drug (ID: DMZH0K8)

Drug Name
JNJ-10392980
Synonyms
841200-46-2; benzoxazole,2-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-; JNJ-10392980; Benzoxazole compound, 10b; CHEMBL481863; SCHEMBL2170316; BDBM24203; ZIQGASWXUSSORV-UHFFFAOYSA-N; ZINC36377694; KB-306080; 2-[4-(2-Piperidin-1-yl-ethoxy)-phenoxy]-benzooxazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H22N2O3
IUPAC Name
2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
Canonical SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
InChIKey
ZIQGASWXUSSORV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11739248
ChEBI ID
CHEMBL481863
TTD ID
D00UIN
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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
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [1]
Leukotriene A-4 hydrolase (LTA4H) TTXZEAJ LKHA4_HUMAN Inhibitor [1]
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.