General Information of Drug (ID: DMUOQZD)

Drug Name
Arachidonic acid
Synonyms
arachidonic acid; 506-32-1; arachidonate; (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid; Immunocytophyte; (all-Z)-5,8,11,14-Eicosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; 5,8,11,14-Eicosatetraenoic acid, (all-Z)-; 5Z,8Z,11Z,14Z-eicosatetraenoic acid; UNII-27YG812J1I; all-cis-5,8,11,14-eicosatetraenoic acid; Arachidonic Acid, 99%; CHEMBL15594; CHEBI:15843; YZXBAPSDXZZRGB-DOFZRALJSA-N; 27YG812J1I; cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; (5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoic Acid
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): 2 Molecular Weight (mw) 304.5
Topological Polar Surface Area (xlogp) 6.3
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H32O2
IUPAC Name
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Canonical SMILES
CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKey
YZXBAPSDXZZRGB-DOFZRALJSA-N
Cross-matching ID
PubChem CID
444899
ChEBI ID
CHEBI:15843
CAS Number
506-32-1
DrugBank ID
DB04557
TTD ID
D0HD9P
INTEDE ID
DR0129

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Substrate [3]
Prostaglandin G/H synthase 2 (COX-2) DE492CE PGH2_HUMAN Substrate [4]
Prostaglandin G/H synthase 1 (COX-1) DE073H6 PGH1_HUMAN Substrate [5]
Arachidonate 5-lipoxygenase (ALOX5) DE87OZS LOX5_HUMAN Substrate [6]
Arachidonate 12-lipoxygenase (ALOX12B) DEISPU8 LX12B_HUMAN Substrate [7]
Arachidonate 15-lipoxygenase (ALOX15) DEH0J8X LOX15_HUMAN Substrate [8]
Cytochrome P450 4F2 (CYP4F2) DE3GT9C CP4F2_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
Arachidonate 12-lipoxygenase (ALOX12B) DME ALOX12B 4.29E-05 -1.81E-01 -5.25E-01
Arachidonate 15-lipoxygenase (ALOX15) DME ALOX15 4.61E-01 -2.18E-02 -1.44E-01
Arachidonate 5-lipoxygenase (ALOX5) DME ALOX5 5.43E-08 4.11E-01 8.14E-01
Cytochrome P450 2C9 (CYP2C9) DME CYP2C9 1.90E-01 -9.81E-03 -5.96E-02
Prostaglandin G/H synthase 2 (COX-2) DME PTGS2 7.93E-04 -2.88E-01 -3.44E-01
Cytochrome P450 4F2 (CYP4F2) DME CYP4F2 2.43E-02 2.94E-02 1.61E-01
Prostaglandin G/H synthase 1 (COX-1) DME PTGS1 3.97E-03 1.56E-01 4.33E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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