(O-((((R)-1-Ethoxy-3-(oleoyloxy)propan-2-yl)oxy)(hydroxy)phosphoryl)-L-serine)

ID: ALA4782438

PubChem CID: 118584207

Max Phase: Preclinical

Molecular Formula: C26H50NO9P

Molecular Weight: 551.66

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COCC)OP(=O)(O)OC[C@H](N)C(=O)O

Standard InChI: InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1

Standard InChI Key: GBVRPEHKCBAZPS-ZZKNSMQJSA-N

Molfile:

 
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M  END

Associated Targets(non-human)

Gpr34 G protein-coupled receptor 34 (411 Activities)

Discover Target: Gpr34

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2ry10 Putative P2Y purinoceptor 10 (276 Activities)

Discover Target: P2ry10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 551.66	Molecular Weight (Monoisotopic): 551.3223	AlogP: 5.52	#Rotatable Bonds: 26
Polar Surface Area: 154.61	Molecular Species: ZWITTERION	HBA: 8	HBD: 3
#RO5 Violations: 2	HBA (Lipinski): 10	HBD (Lipinski): 4	#RO5 Violations (Lipinski): 2
CX Acidic pKa: 1.43	CX Basic pKa: 9.38	CX LogP: 4.09	CX LogD: 1.12
Aromatic Rings: ┄	Heavy Atoms: 37	QED Weighted: 0.05	Np Likeness Score: 0.81

References

1. Nakamura S,Sayama M,Uwamizu A,Jung S,Ikubo M,Otani Y,Kano K,Omi J,Inoue A,Aoki J,Ohwada T. (2020) Non-naturally Occurring Regio Isomer of Lysophosphatidylserine Exhibits Potent Agonistic Activity toward G Protein-Coupled Receptors., 63 (17): [PMID:32787112] [10.1021/acs.jmedchem.0c01126]

(O-((((R)-1-Ethoxy-3-(oleoyloxy)propan-2-yl)oxy)(hydroxy)phosphoryl)-L-serine)

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source