Compound Detail
CHEMBL1871181
ISOPHTHALIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1871181 |
| Name | ISOPHTHALIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
166.1
MW (Da)
1.08
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 100.0 | nM | 7.0 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 22047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047800 | 10.1016/j.bmc.2011.10.013 | Mus musculus | 3 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | No relevant target | 1 |
| - | 10.1039/C9MD00107G | 4-hydroxy-tetrahydrodipicolinate synthase | 1 |
Data from ChEMBL 36 via Core Engine