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Compound Detail

CHEMBL1235569

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O=Cc1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1235569
Phase Preclinical
Structure Type MOL
InChI Key WPYJKGWLDJECQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

157.2
MW (Da)
2.05
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.59
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 C10H7NO
MW 157.17
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
22608675 10.1016/j.ejmech.2012.04.029 Leishmania donovani 1
22608675 10.1016/j.ejmech.2012.04.029 J774.A1 1
22608675 10.1016/j.ejmech.2012.04.029 HepG2 1
22608675 10.1016/j.ejmech.2012.04.029 Unchecked 1
31097402 10.1016/j.bmc.2019.05.001 Sodium- and chloride-dependent GABA transporter 1 1
30376325 10.1021/acs.jmedchem.8b01602 Sodium- and chloride-dependent GABA transporter 1 1
30777661 10.1016/j.bmc.2019.02.015 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine