General
Preferred name
Sphinganine-1-phosphate (d18:0)
Synonyms
dihydrosphingosine-1-phosphate ()
sphinganine 1-phosphate ()
dihydrosphingosine 1-phosphate ()
P&D ID
PD041533
CAS
19794-97-9
Tags
available
drug candidate
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Sphinganine-1-phosphate is an endogenous bioactive lipid. It is produced from sphinganine in the presence of sphingosine kinase. (GtoPdb)
DESCRIPTION Sphinganine-1-phosphate is an antagonist of the sphingosine-1-phosphate (S1P1/EDG-1) receptor with Ki value of 15 nM. It is a lipid mediator particularly for HDL. (BOC Sciences Bioactive Compounds)
Compound Sets
9
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
EUbOPEN Chemogenomics Library
Guide to Pharmacology
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
381.26
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
18
Ring Count
0
Aromatic Ring Count
0
cLogP
4.27
TPSA
113.01
Fraction CSP3
1.0
Chiral centers
2.0
Largest ring
0.0
QED
0.21
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Solubility
Soluble in Acetic Acid (Slightly, Heated), Acidic Methanol (Slightly)
Recommended Cell Concentration
None
Source data