Details of the Drug

General Information of Drug (ID: DMS87T9)

Drug Name
FK-838
Synonyms
FK-838; FK 838; 131185-37-0; CHEMBL292917; 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazinebutyric acid; 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazineboutanoic acid; C21H18N4O3; 1(6H)-Pyridazinebutanoic acid, 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-; 1(6H)-Pyridazinebutanoicacid, 6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-; FKJPZJACCBMNKZ-UHFFFAOYSA-N; AC1MHZMV; ACMC-20mtz5; SCHEMBL2641189; CTK0H8748; DTXSID60156936; BDBM50079654; AKOS030617923; LS-172794; L004106
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 374.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H18N4O3
IUPAC Name
4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid
Canonical SMILES
C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCC(=O)O
InChI
InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
InChIKey
FKJPZJACCBMNKZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3035594
ChEBI ID
CHEMBL292917
CAS Number
131185-37-0
TTD ID
D0EK6D
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN 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 800005145)
2 An orally active adenosine A1 receptor antagonist, FK838, increases renal excretion and maintains glomerular filtration rate in furosemide-resistan... Br J Pharmacol. 2003 Aug;139(8):1383-8.