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Name |
N-Acetyl-d-serine
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Molecular Formula | C5H9NO4 | |
IUPAC Name* |
(2R)-2-acetamido-3-hydroxypropanoic acid
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SMILES |
CC(=O)N[C@H](CO)C(=O)O
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InChI |
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m1/s1
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InChIKey |
JJIHLJJYMXLCOY-SCSAIBSYSA-N
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Synonyms |
N-Acetyl-d-serine; 152612-69-6; (2R)-2-acetamido-3-hydroxypropanoic acid; (R)-2-acetamido-3-hydroxypropanoic acid; 2-Acetylamino-3-hydroxy-propionic acid; Acetyl-D-serine; Ac-D-Ser-OH; D-Serine, N-acetyl-; SCHEMBL2122264; DTXSID401316393; ZINC158174; AKOS006349344; (R)-2-acetamido-3-hydroxypropanoicacid; 359015-97-7; AM806412; CS-0139824; (R)-3-Hydroxy-2-(acetylamino)propanoic acid; W10597; EN300-2952177; A908026
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CAS | 152612-69-6 | |
PubChem CID | 10844522 | |
ChEMBL ID | NA |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
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 |
Molecular Weight: | 147.13 | ALogp: | -1.2 |
HBD: | 3 | HBA: | 4 |
Rotatable Bonds: | 3 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 86.6 | Aromatic Rings: | 0 |
Heavy Atoms: | 10 | QED Weighted: | 0.483 |
Caco-2 Permeability: | -5.312 | MDCK Permeability: | 0.00583141 |
Pgp-inhibitor: | 0 | Pgp-substrate: | 0.097 |
Human Intestinal Absorption (HIA): | 0.322 | 20% Bioavailability (F20%): | 0.043 |
30% Bioavailability (F30%): | 0.421 |
Blood-Brain-Barrier Penetration (BBB): | 0.209 | Plasma Protein Binding (PPB): | 27.16% |
Volume Distribution (VD): | 0.623 | Fu: | 77.29% |
CYP1A2-inhibitor: | 0.004 | CYP1A2-substrate: | 0.074 |
CYP2C19-inhibitor: | 0.024 | CYP2C19-substrate: | 0.064 |
CYP2C9-inhibitor: | 0.003 | CYP2C9-substrate: | 0.099 |
CYP2D6-inhibitor: | 0.003 | CYP2D6-substrate: | 0.092 |
CYP3A4-inhibitor: | 0.004 | CYP3A4-substrate: | 0.033 |
Clearance (CL): | 2.177 | Half-life (T1/2): | 0.85 |
hERG Blockers: | 0.014 | Human Hepatotoxicity (H-HT): | 0.043 |
Drug-inuced Liver Injury (DILI): | 0.03 | AMES Toxicity: | 0.234 |
Rat Oral Acute Toxicity: | 0.001 | Maximum Recommended Daily Dose: | 0.21 |
Skin Sensitization: | 0.826 | Carcinogencity: | 0.009 |
Eye Corrosion: | 0.003 | Eye Irritation: | 0.05 |
Respiratory Toxicity: | 0.058 |
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC005538 | ![]() |
0.538 | D06XGW | ![]() |
0.667 | ||
ENC000717 | ![]() |
0.435 | D01FJT | ![]() |
0.390 | ||
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0.357 | D0G4JI | ![]() |
0.357 | ||
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0.323 | D02UDJ | ![]() |
0.355 | ||
ENC005488 | ![]() |
0.313 | D07WXE | ![]() |
0.340 | ||
ENC000418 | ![]() |
0.313 | D0A8CJ | ![]() |
0.316 | ||
ENC000037 | ![]() |
0.310 | D00ENY | ![]() |
0.316 | ||
ENC000001 | ![]() |
0.306 | D08QGD | ![]() |
0.300 | ||
ENC002873 | ![]() |
0.302 | D0X5SI | ![]() |
0.293 |