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Compound Detail

CHEMBL4209790

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COc1cc(-c2nnc(-c3cc(C(C)C)c4c(C)nn(C)c4n3)[nH]2)cc(Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209790
Phase Preclinical
Structure Type MOL
InChI Key QDYUYPOIRUOBSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
3.91
ALogP
7
HBA
1
HBD
94.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN7O
MW 397.87
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
29249563 10.1016/j.bmcl.2017.12.010 Sphingosine 1-phosphate receptor 2 1

Data from ChEMBL 36 via Core Engine