Compound Detail
CHEMBL1045
PHTHALIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1045 |
| Name | PHTHALIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
2
PK Parameters
8
Publications
1
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 2 meas. best 7.0
Ki 2 meas. best 4.0
Kd 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 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 10.95 | uM | Agaricus bisporus |
| Ka | 91.32 | /mM | Agaricus bisporus |
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 |
| Mushroom tyrosinase | Ki | = | 100000.0 | nM | 4.0 | Inhibition of cresolase activity of mushroom tyrosinase using 4-[(4-Methylphenyl... | 27344491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27344491 | 10.1016/j.ejmech.2016.06.013 | Mushroom tyrosinase | 12 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | Mus musculus | 3 |
| 10476877 | 10.1016/s0960-894x(99)00403-5 | Tyrosine-protein kinase Lck | 1 |
| 19632114 | 10.1016/j.bmcl.2009.07.018 | Unchecked | 1 |
| 20810286 | 10.1016/j.bmc.2010.08.003 | No relevant target | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | No relevant target | 1 |
| 12724351 | 10.1124/jpet.103.051300 | Solute carrier organic anion transporter family member 2B1 | 1 |
| 27344491 | 10.1016/j.ejmech.2016.06.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine