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Compound Detail

CHEMBL272352

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COc1ccccc1N1CCN(CCNc2nc(C(F)(F)F)nc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272352
Phase Preclinical
Structure Type MOL
InChI Key FVJIMRXSKWNYGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.89
ALogP
6
HBA
1
HBD
53.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F3N5O
MW 431.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
18178086 10.1016/j.bmcl.2007.12.024 Lysophosphatidic acid receptor 2 1

Data from ChEMBL 36 via Core Engine