INDOLACTUM
ID: CHEMBL27266
Name: INDOLACTUM
Max Phase:
Preclinical
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Molecular Formula: C17H23N3O2
Molecular Weight: 301.39
Molecule Type: Small molecule
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL27266
Compounds similar to CHEMBL27266
Compounds with at least 85% similarity.
1
1 out of 1
Bioactivity Summary
Total
202
Ki
Activity
Ratio
Inhibition
Potency
Relativity
EC50
IC50
Ratio Ki
ED50
ID50
Log 1/M
Log IC50
Histogram Settings
|
Total
18
Journal:
J Med Chem
Bioorg Med Chem Lett
Bioorg Med Chem
Nat Chem Biol
Eur J Med Chem
ACS Med Chem Lett
The table below displays ChEMBL targets which are predicted to interact with INDOLACTUM (CHEMBL27266). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not INDOLACTUM (CHEMBL27266) 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 | inactive | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
301.39
Molecular Weight (Monoisotopic):
301.1790
AlogP:
1.66
#Rotatable Bonds:
2
Polar Surface Area:
68.36
Molecular Species:
NEUTRAL
HBA:
3
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
5
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
13.10
CX Basic pKa:
--
CX LogP:
1.94
CX LogD:
1.94
Aromatic Rings:
2
Heavy Atoms:
22
QED Weighted:
0.79
Np Likeness Score:
1.52
UniChem Connectivity Layer Cross References for
CHEMBL27266
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL27266 | ||||
| CHEMBL5186042 | ||||
| ILV | ||||
| 192686 | ||||
| ZINC000002517049 |
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