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Compound Detail

CHEMBL473323

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N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473323
Phase Preclinical
Structure Type MOL
InChI Key WDWSRUMPOOAPMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.38
ALogP
4
HBA
2
HBD
91.9
PSA (Ų)
0.69
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 C24H19N3O2
MW 381.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.62

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 2 2
19161278 10.1021/jm8013458 Excitatory amino acid transporter 3 2

Data from ChEMBL 36 via Core Engine