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Compound Detail

CHEMBL4088958

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Cl.NC(=O)c1cccc([C@H]2CCN[C@@H]2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088958
Phase Preclinical
Structure Type MOL
InChI Key HKWXNBGXTMYXGT-UXQCFNEQSA-N
Parent Compound CHEMBL4116041
Active Moiety CHEMBL4116041
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

234.2
MW (Da)
0.32
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN2O3
MW 270.72
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.17

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