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Compound Detail

CHEMBL12315

ISOQUINOLINE
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c1ccc2cnccc2c1

Basic Information

ChEMBL ID CHEMBL12315
Name ISOQUINOLINE
Phase Preclinical
Structure Type MOL
InChI Key AWJUIBRHMBBTKR-UHFFFAOYSA-N

Known Names

2-Benzanine
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
1
Known Names

Molecular Properties

129.2
MW (Da)
2.23
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H7N
MW 129.16
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
16789751 10.1021/jm060230+ ADMET 3
29100802 10.1016/j.bmcl.2017.09.041 No relevant target 2
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2
1271403 10.1021/jm00227a008 No relevant target 2
18558667 10.1021/jm701549s No relevant target 2
17300161 10.1021/jm0611105 Skin 1
25002230 10.1016/j.bmc.2014.06.017 MOLT-4 1
- 10.6019/CHEMBL3301361 No relevant target 1
21145740 10.1016/j.bmcl.2010.11.060 Rho-associated protein kinase 1 1
17827020 10.1016/j.bmc.2007.07.050 Skin 1
17300161 10.1021/jm0611105 ADMET 1
8544179 10.1021/jm00026a010 No relevant target 1
17300161 10.1021/jm0611105 No relevant target 1
16789751 10.1021/jm060230+ Homo sapiens 1
16789751 10.1021/jm060230+ No relevant target 1
15857133 10.1021/jm048980b No relevant target 1
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine