Details of the Drug

General Information of Drug (ID: DMJSD5W)

Drug Name
FK-070
Synonyms
KDI-792; Kdi 792; FK 070; FK-070; AC1O5X7F; SCHEMBL8657761; JGCFJVFIRFTRKJ-YOLZMAEBSA-N; 130047-30-2; FR-121070; 167678-84-4; (2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine hydrochloride; 5-Hexenoic acid, 6-((2S,4R)-4-(((4-chlorophenyl)sulfonyl)amino)-1-(3- pyridinylmethyl)-2-pyrrolidinyl)-, monohydrochloride, (5Z)-; 178895-18-6; (Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid hydrochloride
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 500.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C22H27Cl2N3O4S
IUPAC Name
(Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochloride
Canonical SMILES
C1[C@H](CN([C@@H]1/C=C\\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C22H26ClN3O4S.ClH/c23-18-8-10-21(11-9-18)31(29,30)25-19-13-20(6-2-1-3-7-22(27)28)26(16-19)15-17-5-4-12-24-14-17;/h2,4-6,8-12,14,19-20,25H,1,3,7,13,15-16H2,(H,27,28);1H/b6-2-;/t19-,20-;/m1./s1
InChIKey
JGCFJVFIRFTRKJ-YOLZMAEBSA-N
Cross-matching ID
PubChem CID
6442424
CAS Number
130047-30-2
TTD ID
D0WH9U

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thromboxane A2 receptor (TBXA2R) TT2O84V TA2R_HUMAN Modulator [1]
Thromboxane-A synthase (TBXAS1) TTKNWZ4 THAS_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Angina pectoris
ICD Disease Classification BA40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thromboxane-A synthase (TBXAS1) DTT TBXAS1 6.56E-01 0.02 0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Pharmacokinetic and pharmacodynamic properties of FK070 (KDI-792), a novel thromboxane receptor antagonist/thromboxane synthetase inhibitor, after single and multiple oral administrations to healthy volunteers. J Pharm Pharmacol. 1996 Apr;48(4):380-5.