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Compound Detail

CHEMBL4211376

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Cc1nn(C)c2nc(C(=O)NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(F)(F)F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211376
Phase Preclinical
Structure Type MOL
InChI Key RAJFRUMSYLLKIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.2
MW (Da)
3.96
ALogP
6
HBA
2
HBD
101.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11Cl2F3N6O2
MW 447.20
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.96

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