Compound Detail
CHEMBL208484
KARANJIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL208484 |
| Name | KARANJIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKPQNZRGGNOPPU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.21
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 7.52 | 6.545 | 30.0 | 2 |
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 7.52 | 6.455 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human CYP1B1 expressed in human HEK293 cells using 7-ethoxyresoruf... | 30448188 |
| Cytochrome P450 1A1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresoruf... | 30448188 |
| Cytochrome P450 1A1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human CYP1A1 expressed in sacchrosomes using 7-ethoxyresorufin as ... | 30448188 |
| Cytochrome P450 1B1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human CYP1B1 expressed in sacchrosomes using 7-ethoxyresorufin as ... | 30448188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9387-1 | Rattus norvegicus | 2 |
| 30448188 | 10.1016/j.bmc.2018.11.013 | Cytochrome P450 1B1 | 2 |
| 30448188 | 10.1016/j.bmc.2018.11.013 | Cytochrome P450 1A1 | 2 |
| 16460930 | 10.1016/j.bmcl.2006.01.062 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 16460930 | 10.1016/j.bmcl.2006.01.062 | Rattus norvegicus | 1 |
| 8882428 | 10.1021/np960057s | Monocyte | 1 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Radical scavenging activity | 1 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Unchecked | 1 |
| - | 10.1007/s00044-007-9043-6 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
| 25630222 | 10.1016/j.bmcl.2015.01.009 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 25630222 | 10.1016/j.bmcl.2015.01.009 | NON-PROTEIN TARGET | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine