ARFOLITIXORIN
ID: CHEMBL1234270
Name: ARFOLITIXORIN
Max Phase:
Phase 3
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Molecular Formula: C20H23N7O6
Molecular Weight: 457.45
Molecule Type: Small molecule
Synonyms and Trade Names:
[6R]-5,10-methylenetetrahydrofolate ([6R]-5,10- MTHF)
6R-MTHF
ARFOLITIXORIN
ARFOLITIXORINA
ARFOLITIXORINE
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL1234270
5
Showing 1-5
out of 6 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Rectal Neoplasms
|
rectum cancer
| 3 | |||
| 2. |
Neoplasms
|
neoplasm
| 1 | |||
| 3. |
Colorectal Neoplasms
|
colorectal neoplasm
| 1 | |||
| 4. |
Methotrexate
|
methotrexate
| 1 | |||
| 5. |
Colonic Neoplasms
|
colonic neoplasm
| 1 |
Showing 1-5
out of 6 records
Compounds similar to CHEMBL1234270
Compounds with at least 85% similarity.
1
2
1 - 2 out of 2
Bioactivity Summary
No data available for compound CHEMBL1234270 (ARFOLITIXORIN) (including alternative forms).
Assay Summary
No data available for compound CHEMBL1234270 (ARFOLITIXORIN) (including alternative forms).
Target Summary
No target classification data available for compound CHEMBL1234270 (all may be non-protein targets)
No data available. (Documents related to CHEMBL1234270 (ARFOLITIXORIN))
The table below displays ChEMBL targets which are predicted to interact with ARFOLITIXORIN (CHEMBL1234270). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not ARFOLITIXORIN (CHEMBL1234270) 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 | inactive | 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 | empty | empty | inactive | 6 |
Molecular Weight:
457.45
Molecular Weight (Monoisotopic):
457.1710
AlogP:
-0.52
#Rotatable Bonds:
7
Polar Surface Area:
193.98
Molecular Species:
ACID
HBA:
9
HBD:
6
#RO5 Violations:
1
HBA (Lipinski):
13
HBD (Lipinski):
7
#RO5 Violations (Lipinski):
2
CX Acidic pKa:
3.24
CX Basic pKa:
0.67
CX LogP:
-0.42
CX LogD:
-7.11
Aromatic Rings:
2
Heavy Atoms:
33
QED Weighted:
0.31
Np Likeness Score:
-0.12
UniChem Connectivity Layer Cross References for
CHEMBL1234270
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL117348 | ||||
| CHEMBL1234270 | ||||
| CHEMBL3274193 | ||||
| DB17113 | ||||
| DB12676 |
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