NPs Basic Information
|
Name |
Dimethylphosphine
|
| Molecular Formula | C2H7P | |
| IUPAC Name* |
dimethylphosphane
|
|
| SMILES |
CPC
|
|
| InChI |
InChI=1S/C2H7P/c1-3-2/h3H,1-2H3
|
|
| InChIKey |
YOTZYFSGUCFUKA-UHFFFAOYSA-N
|
|
| Synonyms |
Dimethylphosphine; Phosphine, dimethyl-; Dimethylphosphane; 676-59-5; Me2PH; (CH3)2PH; DRV85A28TP; UNII-DRV85A28TP; CHEBI:35888; DTXSID40217918; AKOS006281485; Q27116604
|
|
| CAS | 676-59-5 | |
| PubChem CID | 69607 | |
| ChEMBL ID | NA |
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification: |
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NPs Species Source
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
|---|---|---|---|---|---|---|---|---|
| Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
NPs Biological Activity
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
NPs Physi-Chem Properties
| Molecular Weight: | 62.05 | ALogp: | -0.1 |
| HBD: | 0 | HBA: | 0 |
| Rotatable Bonds: | 0 | Lipinski's rule of five: | Accepted |
| Polar Surface Area: | 0.0 | Aromatic Rings: | 0 |
| Heavy Atoms: | 3 | QED Weighted: | 0.371 |
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NPs ADMET Properties*
ADMET: Absorption
| Caco-2 Permeability: | -4.209 | MDCK Permeability: | 0.00002740 |
| Pgp-inhibitor: | 0 | Pgp-substrate: | 0.394 |
| Human Intestinal Absorption (HIA): | 0.007 | 20% Bioavailability (F20%): | 0.009 |
| 30% Bioavailability (F30%): | 0.079 |
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ADMET: Distribution
| Blood-Brain-Barrier Penetration (BBB): | 0.956 | Plasma Protein Binding (PPB): | 10.79% |
| Volume Distribution (VD): | 1.373 | Fu: | 82.55% |
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ADMET: Metabolism
| CYP1A2-inhibitor: | 0.259 | CYP1A2-substrate: | 0.894 |
| CYP2C19-inhibitor: | 0.055 | CYP2C19-substrate: | 0.782 |
| CYP2C9-inhibitor: | 0.007 | CYP2C9-substrate: | 0.783 |
| CYP2D6-inhibitor: | 0.007 | CYP2D6-substrate: | 0.737 |
| CYP3A4-inhibitor: | 0.006 | CYP3A4-substrate: | 0.238 |
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ADMET: Excretion
| Clearance (CL): | 7.553 | Half-life (T1/2): | 0.82 |
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ADMET: Toxicity
| hERG Blockers: | 0.029 | Human Hepatotoxicity (H-HT): | 0.054 |
| Drug-inuced Liver Injury (DILI): | 0.096 | AMES Toxicity: | 0.236 |
| Rat Oral Acute Toxicity: | 0.779 | Maximum Recommended Daily Dose: | 0.064 |
| Skin Sensitization: | 0.855 | Carcinogencity: | 0.812 |
| Eye Corrosion: | 0.993 | Eye Irritation: | 0.996 |
| Respiratory Toxicity: | 0.968 |
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*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.
Similar Compounds*
Compounds similar to EMNPD with top10 similarity:
| Similar NPs | Similar Drugs | ||||||
|---|---|---|---|---|---|---|---|
| NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
| ENC000286 |  |
0.200 | D08HVE |  |
0.167 | ||
| ENC000417 |  |
0.154 | D0U3IG |  |
0.111 | ||
| ENC000132 |  |
0.143 | D0F1GS |  |
0.095 | ||
| ENC000469 |  |
0.143 | D0Z4NI |  |
0.095 | ||
| ENC000147 |  |
0.133 | D0C1QZ |  |
0.095 | ||
| ENC000135 |  |
0.133 | D05KEZ |  |
0.091 | ||
| ENC000713 |  |
0.133 | D00AMQ |  |
0.091 | ||
| ENC000045 |  |
0.125 | D0XB8P |  |
0.087 | ||
| ENC000046 |  |
0.125 | D02KJX |  |
0.083 | ||
| ENC000522 |  |
0.118 | D0ZK8H |  |
0.083 | ||