CID 5487843
| Internal ID | 8838d663-2a2e-4744-a742-b6651da7deee |
| Taxonomy | Homogeneous metal compounds > Homogeneous transition metal compounds |
| IUPAC Name | copper |
| SMILES (Canonical) | [Cu].[Cu].[Cu] |
| SMILES (Isomeric) | [Cu].[Cu].[Cu] |
| InChI | InChI=1S/3Cu |
| InChI Key | FRVMKTLTJFPELD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | Cu3 |
| Molecular Weight | 190.64 g/mol |
| Exact Mass | 190.78698 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 0.00 |
| Atomic LogP (AlogP) | -0.01 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 0 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9836 | 98.36% |
| Caco-2 | + | 0.5750 | 57.50% |
| Blood Brain Barrier | + | 1.0000 | 100.00% |
| Human oral bioavailability | + | 0.8143 | 81.43% |
| Subcellular localzation | Lysosomes | 0.5810 | 58.10% |
| OATP2B1 inhibitior | - | 0.8771 | 87.71% |
| OATP1B1 inhibitior | + | 0.9800 | 98.00% |
| OATP1B3 inhibitior | + | 0.9571 | 95.71% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9411 | 94.11% |
| P-glycoprotein inhibitior | - | 0.9871 | 98.71% |
| P-glycoprotein substrate | - | 0.9976 | 99.76% |
| CYP3A4 substrate | - | 0.8719 | 87.19% |
| CYP2C9 substrate | - | 0.7358 | 73.58% |
| CYP2D6 substrate | - | 0.7726 | 77.26% |
| CYP3A4 inhibition | - | 0.9813 | 98.13% |
| CYP2C9 inhibition | - | 0.9074 | 90.74% |
| CYP2C19 inhibition | - | 0.9305 | 93.05% |
| CYP2D6 inhibition | - | 0.9566 | 95.66% |
| CYP1A2 inhibition | - | 0.8379 | 83.79% |
| CYP2C8 inhibition | - | 0.9969 | 99.69% |
| CYP inhibitory promiscuity | - | 0.8776 | 87.76% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | + | 0.7183 | 71.83% |
| Carcinogenicity (trinary) | Non-required | 0.4731 | 47.31% |
| Eye corrosion | + | 0.8990 | 89.90% |
| Eye irritation | + | 0.9841 | 98.41% |
| Skin irritation | + | 0.8763 | 87.63% |
| Skin corrosion | - | 0.7329 | 73.29% |
| Ames mutagenesis | - | 0.9300 | 93.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7989 | 79.89% |
| Micronuclear | - | 0.6368 | 63.68% |
| Hepatotoxicity | + | 0.9302 | 93.02% |
| skin sensitisation | + | 0.6159 | 61.59% |
| Respiratory toxicity | - | 0.7556 | 75.56% |
| Reproductive toxicity | - | 0.7444 | 74.44% |
| Mitochondrial toxicity | - | 0.6000 | 60.00% |
| Nephrotoxicity | + | 0.6966 | 69.66% |
| Acute Oral Toxicity (c) | III | 0.5860 | 58.60% |
| Estrogen receptor binding | - | 0.9287 | 92.87% |
| Androgen receptor binding | - | 0.9514 | 95.14% |
| Thyroid receptor binding | - | 0.8639 | 86.39% |
| Glucocorticoid receptor binding | - | 0.9113 | 91.13% |
| Aromatase binding | - | 0.9064 | 90.64% |
| PPAR gamma | - | 0.9152 | 91.52% |
| Honey bee toxicity | - | 0.7100 | 71.00% |
| Biodegradation | + | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | + | 0.5200 | 52.00% |
| Fish aquatic toxicity | - | 0.5675 | 56.75% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| No predicted targets yet! | ||||
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