UCSF

ZINC01673633

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 No

Popular Name: mono-Lauryl phosphate mono-Lauryl phosphate

Find On: PubMed — Wikipedia — Google

CAS Number: 2627-35-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 8.57 -131.04 0 4 -2 72 264.302 12 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 39-45? Alfa-Aesar
Melting_Point 39-45° Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1354 0.48 Binding ≤ 10μM
LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 121 0.57 Binding ≤ 10μM
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 2800 0.46 Functional ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 3100 0.45 Functional ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 384 0.53 Functional ≤ 10μM
Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 250 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LPAR3_HUMAN Q9UBY5 Lysophosphatidic Acid Receptor Edg-7, Human 121 0.57 Binding ≤ 1μM
LPAR1_HUMAN Q92633 Lysophosphatidic Acid Receptor Edg-2, Human 1354 0.48 Binding ≤ 10μM
LPAR3_HUMAN Q9UBY5 Lysophosphatidic Acid Receptor Edg-7, Human 121 0.57 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 160 0.56 Functional ≤ 10μM
LPAR1_HUMAN Q92633 Lysophosphatidic Acid Receptor Edg-2, Human 2800 0.46 Functional ≤ 10μM
LPAR2_HUMAN Q9HBW0 Lysophosphatidic Acid Receptor Edg-4, Human 3100 0.45 Functional ≤ 10μM
LPAR3_HUMAN Q9UBY5 Lysophosphatidic Acid Receptor Edg-7, Human 384 0.53 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Lysosphingolipid and LPA receptors

Analogs ( Draw Identity 99% 90% 80% 70% )