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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074660
CHEMBL2074660
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H41N5O5

Additional synonyms for CHEMBL2074660 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C( ...
Download SMILES
Standard InChI InChI=1S/C28H41N5O5/c1-18(2)14-23(32-28(38)33-12-8-4-5-9-13- ...
Download InChI
Standard InChI Key MGTZNGICWXYDPR-ZJWHSJSFSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074660

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
527.7 527.3108 3.17 11 143.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 1 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.27 - 3.16 .12 2 38 0.3

Structural Alerts

There are 2 structural alerts for CHEMBL2074660. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGTZNGICWXYDPR-ZJWHSJSFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074660



BindingDB 50390987
Nikkaji J1.178.702I
PubChem 70684705

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