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Compound Detail

CHEMBL4091369

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Cl.O=C(O)[C@H]1NCC[C@@H]1c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091369
Phase Preclinical
Structure Type MOL
InChI Key PNGCYMVQRLUJQX-UXQCFNEQSA-N
Parent Compound CHEMBL4116117
Active Moiety CHEMBL4116117
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

259.2
MW (Da)
2.24
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.86
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 C12H13ClF3NO2
MW 295.69
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
29205034 10.1021/acs.jmedchem.7b01624 Unchecked 3
29205034 10.1021/acs.jmedchem.7b01624 Glutamate receptor ionotropic, kainate 1 1
29205034 10.1021/acs.jmedchem.7b01624 Glutamate receptor ionotropic, kainate 2 1
29205034 10.1021/acs.jmedchem.7b01624 Glutamate receptor ionotropic, kainate 3 1

Data from ChEMBL 36 via Core Engine