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Compound Detail

CHEMBL552846

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Cc1cccc2[nH]c3c4c5ccccc5nc-4c[nH]c3c12.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552846
Phase Preclinical
Structure Type MOL
InChI Key KUPAVVWLVGGSOJ-UHFFFAOYSA-N
Parent Compound CHEMBL69006
Active Moiety CHEMBL69006
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
4.61
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN3
MW 307.78
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
2167978 10.1021/jm00171a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine