Compound Detail
CHEMBL402794
BIS(2-ETHYLHEXYL)PHTHALATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL402794 |
| Name | BIS(2-ETHYLHEXYL)PHTHALATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJQHLKABXJIVAM-BGYRXZFFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
390.6
MW (Da)
6.43
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 4.17 | 4.17 | 66906.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 66906.0 | nM | 4.17 | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl ac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 464 |
| 18289850 | 10.1016/j.bmcl.2008.01.097 | Cathepsin B | 2 |
| 18289850 | 10.1016/j.bmcl.2008.01.097 | B16-F10 | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 11752103 | 10.1124/jpet.300.1.97 | ATP-binding cassette sub-family C member 2 | 1 |
| 11752118 | 10.1124/jpet.300.1.206 | Solute carrier organic anion transporter family member 1A4 | 1 |
Data from ChEMBL 36 via Core Engine