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Compound Detail

CHEMBL87640

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CCOC(=O)c1ncc2c(c1CC)c1cc(OCc3cccc4ccccc34)ccc1n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87640
Phase Preclinical
Structure Type MOL
InChI Key MTKGKPGOTHURGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
6.20
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O3
MW 438.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
9651158 10.1021/jm970460b GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine