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Compound Detail

CHEMBL406676

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CC[C@@H](CN1CCN(c2ccccc2OC)CC1)Nc1nc(C(F)(F)F)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406676
Phase Preclinical
Structure Type MOL
InChI Key HQSTUFQPVLSVBX-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
53.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28F3N5O
MW 459.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.45

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