NIKKOMYCIN
ID: CHEMBL35306
Name: NIKKOMYCIN
Max Phase:
Phase 1
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Molecular Formula: C20H25N5O10
Molecular Weight: 495.45
Molecule Type: Small molecule
Synonyms and Trade Names:
NIKKOMYCIN
Nikkomycin Z
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL35306
5
Showing 1-1
out of 1 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Coccidioidomycosis
|
coccidioidomycosis
| 1 |
Showing 1-1
out of 1 records
Compounds similar to CHEMBL35306
Compounds with at least 85% similarity.
1
2
3
1 - 3 out of 3
Bioactivity Summary
Total
173
Activity
IC50
MIC
MEC
AUC
Drug uptake
Inhibition
Cmax
F
T1/2
Tmax
Stability
Ki
MIC90
IZ
MIC50
Transport inhibition
CL
GMMIC
Hydrolysis
Other
Histogram Settings
|
Total
20
Journal:
Bioorg Med Chem Lett
Antimicrob Agents Chemother
J Med Chem
Bioorg Med Chem
Eur J Med Chem
J Nat Prod
Medchemcomm
The table below displays ChEMBL targets which are predicted to interact with NIKKOMYCIN (CHEMBL35306). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not NIKKOMYCIN (CHEMBL35306) 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 | both | 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 | active | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
495.45
Molecular Weight (Monoisotopic):
495.1601
AlogP:
-3.48
#Rotatable Bonds:
8
Polar Surface Area:
250.32
Molecular Species:
ZWITTERION
HBA:
12
HBD:
8
#RO5 Violations:
2
HBA (Lipinski):
15
HBD (Lipinski):
9
#RO5 Violations (Lipinski):
2
CX Acidic pKa:
2.80
CX Basic pKa:
8.76
CX LogP:
-5.65
CX LogD:
-5.79
Aromatic Rings:
2
Heavy Atoms:
35
QED Weighted:
0.18
Np Likeness Score:
1.11
UniChem Connectivity Layer Cross References for
CHEMBL35306
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL1236576 | ||||
| DB04093 | ||||
| UNA | ||||
| 46202 | ||||
| ZINC000001595727 |
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