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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL18155
CHEMBL18155
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27N9O6

Additional synonyms for CHEMBL18155 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(= ...
Download SMILES
Standard InChI InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33- ...
Download InChI
Standard InChI Key NYQPLPNEESYGNO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL18155

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
573.6 573.2084 1.29 12 248.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 7 3 15 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.5 5.46 -.46 -5.13 4 42 0.12

Structural Alerts

There are 4 structural alerts for CHEMBL18155. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYQPLPNEESYGNO-UHFFFAOYSA-N
PubChem SID: 491028 SID: 496579

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL18155



ACToR 113857-87-7
BindingDB 50011320
IBM Patent System 070CAD2D4768BF70AFCB80F2ED61C732
PubChem 360682
PubChem: Thomson Pharma 14935581
SureChEMBL SCHEMBL1060264

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