Compound Detail
CHEMBL3704745
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C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)C(C)C(=O)N(CC)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL3704745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLROWHGDTNFZBH-PBBVDAKRSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1216.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A | IC50 | = | 0.8 | nM | 9.1 | Inhibition Assay: The PPlase activity of recombinant CypA or D, produced by thro... | - |
| Bile salt export pump | IC50 | = | 180.0 | nM | 6.75 | Inhibition Assay: To assess the inhibition of the MRP2, MRP3 and BSEP efflux tra... | - |
| Solute carrier organic anion transporter family member 1B3 | IC50 | = | 190.0 | nM | 6.72 | In Vitro Uptake Transporter Assay: To assess the inhibition of the OAT1B1 and OA... | - |
| Solute carrier organic anion transporter family member 1B1 | IC50 | = | 450.0 | nM | 6.35 | In Vitro Uptake Transporter Assay: To assess the inhibition of the OAT1B1 and OA... | - |
| ATP-dependent translocase ABCB1 | IC50 | = | 720.0 | nM | 6.14 | In Vitro ATPase Assay: To assess the inhibition of the P-glycoprotein (Pgp/MDR1)... | - |
| ATP-binding cassette sub-family C member 2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition Assay: To assess the inhibition of the MRP2, MRP3 and BSEP efflux tra... | - |
Data from ChEMBL 36 via Core Engine