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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392910
CHEMBL2392910
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37ClN8O

Additional synonyms for CHEMBL2392910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(nc1)c2nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN3CCNCC3)c4ccc ...
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Standard InChI InChI=1S/C28H37ClN8O/c1-20-26(29)28(35-27(33-20)23-12-11-22( ...
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Standard InChI Key PLSOHYMTXJFTJD-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392910

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
537.1 536.2779 3.52 11 98.31 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 2.84 1.03 3 38 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL2392910. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PLSOHYMTXJFTJD-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392910



BindingDB 50435207
PubChem 71603238
PubChem: Thomson Pharma 163684544
ZINC ZINC000096271226

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