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Compound Detail

CHEMBL474330

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CC1CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474330
Phase Preclinical
Structure Type MOL
InChI Key RPHCQXSVBWICGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.48
ALogP
6
HBA
1
HBD
94.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
19161278 10.1021/jm8013458 Excitatory amino acid transporter 1 2
19161278 10.1021/jm8013458 Excitatory amino acid transporter 3 2
19161278 10.1021/jm8013458 Excitatory amino acid transporter 2 2
20857912 10.1021/jm1009154 Excitatory amino acid transporter 1 2
20857912 10.1021/jm1009154 Excitatory amino acid transporter 2 1
20857912 10.1021/jm1009154 Excitatory amino acid transporter 3 1

Data from ChEMBL 36 via Core Engine