Details of the Drug

General Information of Drug (ID: DMFT0HU)

Drug Name

[3H]resolvin D1

Synonyms

OIWTWACQMDFHJG-LDOXQWQISA-N; RvD1; [3H]-RvD1; GTPL4356; GTPL3934; SCHEMBL13150511; (4Z,7S,8S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic; OIWTWACQMDFHJG-LDOXQWQISA-N; (4Z,7S,8S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid; resolvin D1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

376.5

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

14

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H32O5
IUPAC Name: (4Z,7S,8S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
Canonical SMILES: CC/C=C\\C[C@@H](/C=C/C=C\\C=C\\C=C\\[C@@H]([C@H](C/C=C\\CCC(=O)O)O)O)O
InChI: InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1
InChIKey: OIWTWACQMDFHJG-LDOXQWQISA-N

Cross-matching ID

PubChem CID: 73755062
TTD ID: D0P0KG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
FMLP-related receptor I (FPR2)	TTOJ1NF	FPR2_HUMAN	Agonist	[2]
G-protein coupled receptor 32 (GPR32)	TT7OCUB	GPR32_HUMAN	Agonist	[2]
Transformation-sensitive protein p120 (TRPA1)	TTELV3W	TRPA1_HUMAN	Inhibitor (gating inhibitor)	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4356).
2	Resolvin D1 binds human phagocytes with evidence for proresolving receptors. Proc Natl Acad Sci U S A. 2010 Jan 26;107(4):1660-5.
3	Resolvin D1 attenuates activation of sensory transient receptor potential channels leading to multiple anti-nociception. Br J Pharmacol. 2010 Oct;161(3):707-20.