Compound Detail
CHEMBL2074720
BILIRUBIN MONOGLUCURONIDE Enter ChEMBL ID:
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C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3OC(C(=O)O)[C@@H](O)C(O)C3O)c(CCC(=O)O)c2C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2074720 |
| Name | BILIRUBIN MONOGLUCURONIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARBDURHEPGRPSR-XHVNDKKUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
760.8
MW (Da)
1.88
ALogP
10
HBA
9
HBD
260.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 | IC50 | = | 120.0 | nM | 6.92 | TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in bile canalicular me... | 9355767 |
| ATP-binding cassette sub-family C member 2 | IC50 | = | 280.0 | nM | 6.55 | TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in HepG2 cells | 9355767 |
| Multidrug resistance-associated protein 1 | IC50 | = | 420.0 | nM | 6.38 | TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in membrane vesicle fr... | 9355767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9355767 | 10.1042/bj3270305 | ATP-binding cassette sub-family C member 2 | 3 |
| 10421658 | 10.1002/hep.510300220 | ATP-binding cassette sub-family C member 2 | 2 |
| 9355767 | 10.1042/bj3270305 | Multidrug resistance-associated protein 1 | 2 |
| 11134001 | 10.1074/jbc.m004968200 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 11134001 | 10.1074/jbc.m004968200 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 10644574 | 10.1152/ajpgi.2000.278.1.g156 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 10464146 | 10.1016/s0016-5085(99)70463-4 | Solute carrier organic anion transporter family member 1A1 | 1 |
| 10464146 | 10.1016/s0016-5085(99)70463-4 | Solute carrier organic anion transporter family member 1A4 | 1 |
Data from ChEMBL 36 via Core Engine