Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | melanocortin 4 receptor | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 1 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 1 | 1 |
Trypanosoma brucei | cytochrome P450, putative | 0.0015 | 1 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 1 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 1 | 0.5 |
Leishmania major | cytochrome p450-like protein | 0.0015 | 1 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0015 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (binding) | = 0 % | Activity at MC4R expressed in HEK293 cells assessed as stimulation of cAMP release at 10 uM relative to alpha-MSH | ChEMBL. | 17918824 |
Activity (binding) | = 0 % | Activity at MC4R expressed in HEK293 cells assessed as stimulation of cAMP release at 10 uM relative to alpha-MSH | ChEMBL. | 17918824 |
AUC (ADMET) | = 1469 ng/mL.hr | AUC in rat at 10 mg/kg, po | ChEMBL. | 17918824 |
CL (ADMET) | = 16 ml/min.Kg | Scaled systemic clearence in human liver microsomes | ChEMBL. | 17918824 |
CL (ADMET) | = 22 ml/min.Kg | Plasma clearance in rat at 2.5 mg/kg, iv or 10 mg/kg, po | ChEMBL. | 17918824 |
Cmax (ADMET) | = 134 ng/ml | Cmax in rat at 2.5 mg/kg, iv or 10 mg/kg, po | ChEMBL. | 17918824 |
Drug uptake (ADMET) | = 8 ng/g | Drug level in rat brain at 10 mg/kg, po after 1 hr | ChEMBL. | 17918824 |
Drug uptake (ADMET) | = 31 ng/g | Drug level in rat brain at 10 mg/kg, po after 4 hrs | ChEMBL. | 17918824 |
Emax (binding) | <= 15 % | Activity at human MC4R expressed in CHO cells assessed as stimulation of alpha-MSH-induced cAMP production at 10 uM by ELISA | ChEMBL. | 18417348 |
F (ADMET) | = 13 % | Oral bioavailability in rat at 10 mg/kg, po | ChEMBL. | 17918824 |
IC50 (functional) | = 190 nM | Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release | ChEMBL. | 17918824 |
IC50 (functional) | = 190 nM | Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release | ChEMBL. | 17918824 |
IC50 (functional) | = 190 nM | Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA | ChEMBL. | 18417348 |
IC50 (ADMET) | = 6.4 uM | Inhibition of CYP3A4 | ChEMBL. | 17918824 |
IC50 (ADMET) | = 6.4 uM | Inhibition of CYP3A4 | ChEMBL. | 17918824 |
Ki (binding) | = 2.2 nM | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | ChEMBL. | 17918824 |
Ki (binding) | = 2.2 nM | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | ChEMBL. | 17918824 |
Ki (binding) | = 2.2 nM | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | ChEMBL. | 18417348 |
Papp (ADMET) | = 37 10'-6 cm/s | Apparent permeability across human Caco-2 cells | ChEMBL. | 18417348 |
permeability (ADMET) | = 3.7 10^-6 cm/s | Permeability across Caco2 cell membrane | ChEMBL. | 17918824 |
permeability (ADMET) | = 3.7 10^-6 cm/s | Permeability across Caco2 cell membrane | ChEMBL. | 17918824 |
Ratio (ADMET) | = 0.2 | Ratio of drug level in brain to plasma in rat at 2.5 mg/kg, iv or 10 mg/kg, po after 1 hr | ChEMBL. | 17918824 |
Ratio (ADMET) | = 0.3 | Ratio of drug level in brain to plasma in rat at 2.5 mg/kg, iv or 10 mg/kg, po after 4 hrs | ChEMBL. | 17918824 |
Ratio (ADMET) | = 3 | Ratio of permeability from apical to basolateral side over basolateral to apical side of the Caco2 cell membrane | ChEMBL. | 17918824 |
t1/2 (ADMET) | = 2.2 hr | Half life in rat at 2.5 mg/kg, iv or 10 mg/kg, po | ChEMBL. | 17918824 |
Tmax (ADMET) | = 4.7 hr | Tmax in rat at 2.5 mg/kg, iv or 10 mg/kg, po | ChEMBL. | 17918824 |
Vd (ADMET) | = 4.2 L/Kg | Volume of distribution in rat at 2.5 mg/kg, iv or 10 mg/kg, po | ChEMBL. | 17918824 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
2 literature references were collected for this gene.