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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106890
CHEMBL2106890
Compound Name RIMOPROGIN
ChEMBL Synonyms RIMOPROGIN
Max Phase 0
Trade Names
Molecular Formula C8H7IN2OS

Additional synonyms for CHEMBL2106890 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ncc(OCC#CI)cn1
Standard InChI InChI=1S/C8H7IN2OS/c1-13-8-10-5-7(6-11-8)12-4-2-3-9/h5-6H,4H ...
Download InChI
Standard InChI Key AKZAGHOFDGJXCC-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106890

Molecule Features

CHEMBL2106890 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov RIMOPROGIN
The Cochrane Collaboration RIMOPROGIN

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106890. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.314

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
306.1 305.9324 1.97 3 35.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .4 2.89 2.89 1 13 0.37

Structural Alerts

There are 4 structural alerts for CHEMBL2106890. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AKZAGHOFDGJXCC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106890



ACToR 37750-83-7
EPA CompTox Dashboard DTXSID90191198
FDA SRS QG8198SR7M
Nikkaji J33.168F
PubChem 65804
PubChem: Thomson Pharma 14751959
SureChEMBL SCHEMBL634776

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AKZAGHOFDGJXCC-UHFFFAOYSA-N spacer
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