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Compound Detail

CHEMBL2368517

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CCCCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368517
Phase Preclinical
Structure Type MOL
InChI Key FMLHSOGKNHADEE-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.42
ALogP
3
HBA
4
HBD
112.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31N2O4P
MW 370.43
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
17113298 10.1016/j.bmc.2006.10.060 Sphingosine 1-phosphate receptor 1 2
17113298 10.1016/j.bmc.2006.10.060 Sphingosine 1-phosphate receptor 2 2
17113298 10.1016/j.bmc.2006.10.060 Sphingosine 1-phosphate receptor 3 2
17113298 10.1016/j.bmc.2006.10.060 Sphingosine 1-phosphate receptor 4 2
17113298 10.1016/j.bmc.2006.10.060 Sphingosine 1-phosphate receptor 5 2

Data from ChEMBL 36 via Core Engine