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Compound Detail

CHEMBL5191394

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O=C([O-])C1CN(Cc2ccc(C3=NOC(c4ccc(CCl)cc4)C3)cc2)C1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191394
Phase Preclinical
Structure Type MOL
InChI Key MWTHRZOLWLIACZ-UHFFFAOYSA-M
Parent Compound CHEMBL5222211
Active Moiety CHEMBL5222211
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
3.81
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN2NaO3
MW 406.85
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
35077170 10.1021/acs.jmedchem.1c01979 Sphingosine 1-phosphate receptor 1 2
35077170 10.1021/acs.jmedchem.1c01979 Sphingosine 1-phosphate receptor 3 1

Data from ChEMBL 36 via Core Engine