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DSM-265

Compound

Name and Classification

ID: CHEMBL1956285

Name: DSM-265

Max Phase:

Phase 2 Learn more

Molecular Formula: C14H12F7N5S

Molecular Weight: 415.34

Molecule Type: Small molecule

Synonyms and Trade Names:

DSM-265 DSM265

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Clinical Candidate Compounds Scientific Literature SARS-CoV-2 Screening Data IMI-CARE SARS-CoV-2 Data

Alternative Forms

Alternative forms of compound CHEMBL1956285

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Parent:

CHEMBL1956285

DSM-265

Activity Charts

Bioactivity Summary

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Total

254

EC50

IC50

T1/2

AUC

PPB

Cmax

Tmax

Solubility

CLH

Activity

ED90

Ratio

Ratio EC50

TIME

LogD

fAUC

CC50

Inhibition

Other

Assay Summary

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Total

248

A - ADME

F - Functional

B - Binding

P - Physicochemical

T - Toxicity

U - Unassigned

Target Summary

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Total

N/A

Enzyme

Ion channel

Secreted protein

Literature

Histogram Settings

Interval Size (1)

Total

Journal:

J Med Chem

Eur J Med Chem

N/A

Bioorg Med Chem

The table below displays ChEMBL targets which are predicted to interact with DSM-265 (CHEMBL1956285). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not DSM-265 (CHEMBL1956285) 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	active	active	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	empty	both	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	empty	empty	inactive	6

Calculated Properties

Molecular Weight:

415.34

Molecular Weight (Monoisotopic):

415.0702

AlogP:

5.95

#Rotatable Bonds:

Polar Surface Area:

55.11

Molecular Species:

NEUTRAL

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

5.68

CX LogD:

5.68

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.54

Np Likeness Score:

-1.53

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79133999 Alert Name: R22 P/S Halides 1 1 out of 1
BMS	7	Alert ID: 81164037 Alert Name: halogen_heteroatom 1 1 out of 1
MLSMR	3	Alert ID: 81368044 Alert Name: P/S halide 1 1 out of 1