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Compound Detail

CHEMBL366208

FTY720-P
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CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366208
Name FTY720-P
Phase Preclinical
Structure Type MOL
InChI Key LRFKWQGGENFBFO-IBGZPJMESA-N

Known Names

FTY-720P Fty720-p
7
Targets
57
Activities
2
Assay Types
3
PK Parameters
20
Publications
2
Known Names

Molecular Properties

387.5
MW (Da)
3.32
ALogP
4
HBA
4
HBD
113.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Extended Properties

Molecular Formula C19H34NO5P
MW 387.46
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.90

Activity Summary

EC50 49 meas. best 10.92
IC50 8 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 1
CHEMBL4333
 EC50 10.92 9.1367 0.0 18
Sphingosine 1-phosphate receptor 3
CHEMBL3892
 EC50 9.87 8.2871 0.1 14
Sphingosine 1-phosphate receptor 1
CHEMBL4333
 IC50 9.55 9.115 0.3 2
Sphingosine 1-phosphate receptor 1
CHEMBL1914263
 EC50 9.54 9.54 0.3 2
Sphingosine 1-phosphate receptor 5
CHEMBL2274
 EC50 9.52 9.04 0.3 6
Sphingosine 1-phosphate receptor 4
CHEMBL3230
 EC50 9.22 8.006 0.6 5
Unchecked
CHEMBL612545
 IC50 8.92 8.92 1.2 1
Unchecked
CHEMBL612545
 EC50 8.89 8.89 1.3 2
Sphingosine 1-phosphate receptor 4
CHEMBL3230
 IC50 8.66 8.66 2.2 1
Sphingosine 1-phosphate receptor 2
CHEMBL2955
 IC50 8.23 8.23 5.9 1
Sphingosine 1-phosphate receptor 3
CHEMBL3892
 IC50 8.2 7.92 6.3 2

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
Cmax - - Rattus norvegicus
t1/2 - - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sphingosine 1-phosphate receptor 1 EC50 = 0.012 nM 10.92 Agonist activity at human S1P1 receptor assessed as effect on calcium mobilizati... 20188554
Sphingosine 1-phosphate receptor 1 EC50 = 0.02 nM 10.7 Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as st... 30785748
Sphingosine 1-phosphate receptor 1 EC50 = 0.07 nM 10.15 Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO... 30785748
Sphingosine 1-phosphate receptor 3 EC50 = 0.134 nM 9.87 Agonist activity at human S1P3 receptor assessed as effect on calcium mobilizati... 20188554
Sphingosine 1-phosphate receptor 1 EC50 = 0.28 nM 9.55 Induction of internalization of C-terminal GFP-fused human S1P1 receptor express... 26924461
Sphingosine 1-phosphate receptor 1 IC50 = 0.28 nM 9.55 Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes 24900286
Sphingosine 1-phosphate receptor 1 EC50 = 0.29 nM 9.54 Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as indu... 22405291
Sphingosine 1-phosphate receptor 1 EC50 = 0.29 nM 9.54 Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgamma... 24900318
Sphingosine 1-phosphate receptor 1 EC50 = 0.3 nM 9.52 Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 usi... 16078855
Sphingosine 1-phosphate receptor 1 EC50 = 0.3 nM 9.52 Agonist activity at SIP1 receptor 22583616
Sphingosine 1-phosphate receptor 5 EC50 = 0.3 nM 9.52 Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 usi... 16078855
Sphingosine 1-phosphate receptor 1 EC50 = 0.3249 nM 9.49 GPCR PRESTO-Tango dose-response in agonist mode with target: S1PR1 -
Sphingosine 1-phosphate receptor 5 EC50 = 0.34 nM 9.47 Agonist activity at human S1P5R 24900318
Sphingosine 1-phosphate receptor 5 EC50 = 0.36 nM 9.44 Agonist activity at human S1P5 receptor assessed as effect on calcium mobilizati... 20188554
Sphingosine 1-phosphate receptor 5 EC50 = 0.36 nM 9.44 Agonist activity at recombinant human S1P5 receptor expressed in Chem-1 cells as... 33738061
Sphingosine 1-phosphate receptor 1 EC50 = 0.37 nM 9.43 Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgam... 24900318
Sphingosine 1-phosphate receptor 1 EC50 = 0.37 nM 9.43 Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as in... 22405291
Sphingosine 1-phosphate receptor 1 EC50 = 0.4 nM 9.4 Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubat... 26687487
Sphingosine 1-phosphate receptor 4 EC50 = 0.6 nM 9.22 Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 usi... 16078855
Sphingosine 1-phosphate receptor 5 EC50 = 0.67 nM 9.17 Agonist activity at human recombinant S1P5 expressed in CHO cell membranes asses... 30785748

Literature References

PubMed DOI Target Context # Activities
30785748 10.1021/acs.jmedchem.8b01695 Sphingosine 1-phosphate receptor 1 10
- 10.6019/CHEMBL5058564 HEK-293T 9
- 10.6019/CHEMBL5058564 U2OS 7
- 10.6019/CHEMBL5058564 Fibroblast 6
30785748 10.1021/acs.jmedchem.8b01695 Unchecked 3
24909680 10.1016/j.bmc.2014.05.035 Rattus norvegicus 3
24900318 10.1021/ml100301k Unchecked 3
21838322 10.1021/jm200609t Sphingosine 1-phosphate receptor 1 2
25516790 10.1021/ml500389m Sphingosine 1-phosphate receptor 1 2
21838322 10.1021/jm200609t Sphingosine 1-phosphate receptor 3 2
21838322 10.1021/jm200609t Sphingosine 1-phosphate receptor 4 2
21838322 10.1021/jm200609t Sphingosine 1-phosphate receptor 5 2
22104144 10.1016/j.bmcl.2011.10.085 Sphingosine 1-phosphate receptor 3 2
24900318 10.1021/ml100301k Sphingosine 1-phosphate receptor 1 2
22405291 10.1016/j.ejmech.2012.02.022 Unchecked 2
30785748 10.1021/acs.jmedchem.8b01695 Cerebellar cortex 2
20188554 10.1016/j.bmcl.2010.02.006 Sphingosine 1-phosphate receptor 3 2
20188554 10.1016/j.bmcl.2010.02.006 Sphingosine 1-phosphate receptor 1 2
22405291 10.1016/j.ejmech.2012.02.022 Sphingosine 1-phosphate receptor 1 2
26751273 10.1021/acs.jmedchem.5b01512 Sphingosine 1-phosphate receptor 1 2

Data from ChEMBL 36 via Core Engine