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Compound Detail

CHEMBL4083586

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Cl.N#Cc1cccc([C@H]2CCN[C@@H]2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083586
Phase Preclinical
Structure Type MOL
InChI Key KMXIWVMFKCKWJA-DHXVBOOMSA-N
Parent Compound CHEMBL4117606
Active Moiety CHEMBL4117606
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.09
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.78
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 C12H13ClN2O2
MW 252.70
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.16

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