D-TRYPTOPHAN
ID: CHEMBL292303
Name: D-TRYPTOPHAN
Max Phase:
Preclinical
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Molecular Formula: C11H12N2O2
Molecular Weight: 204.23
Molecule Type: Small molecule
Synonyms and Trade Names:
D-Trp
D-Tryptophan
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL292303
Compounds similar to CHEMBL292303
Compounds with at least 85% similarity.
1
2
1 - 2 out of 2
Bioactivity Summary
Total
115
KA
Ka
Potency
Kcat
AC50
Ac50
Activity
Inhibition
IC50
Kd
Ki
LogD7.4
Target Summary
Total
42
Enzyme
Unclassified protein
N/A
Epigenetic regulator
Transporter
Membrane receptor
Other nuclear protein
Structural protein
Transcription factor
Histogram Settings
|
Total
26
Journal:
Bioorg Med Chem Lett
Bioorg Med Chem
J Med Chem
N/A
J Biol Chem
Eur J Med Chem
The table below displays ChEMBL targets which are predicted to interact with D-TRYPTOPHAN (CHEMBL292303). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not D-TRYPTOPHAN (CHEMBL292303) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | inactive | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
204.23
Molecular Weight (Monoisotopic):
204.0899
AlogP:
1.12
#Rotatable Bonds:
3
Polar Surface Area:
79.11
Molecular Species:
ZWITTERION
HBA:
2
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
4
HBD (Lipinski):
4
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
2.54
CX Basic pKa:
9.40
CX LogP:
-1.09
CX LogD:
-1.09
Aromatic Rings:
2
Heavy Atoms:
15
QED Weighted:
0.70
Np Likeness Score:
0.39
UniChem Connectivity Layer Cross References for
CHEMBL292303
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL292303 | ||||
| CHEMBL54976 | ||||
| CHEMBL484901 | ||||
| DB03225 | ||||
| DB00150 |
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