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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3287735
CHEMBL3287735
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H38N6O2

Additional synonyms for CHEMBL3287735 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)c3ccc(nc3)N4CCNCC4)C(=O)NCC5=C( ...
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Standard InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-2 ...
Download InChI
Standard InChI Key FKSFKBQGSFSOSM-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3287735

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
526.7 526.3056 4.11 7 91.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.94 8.59 1.61 .38 3 39 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL3287735. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FKSFKBQGSFSOSM-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3287735



BindingDB 50017293
ChEBI 124921
FDA SRS W4OGW9QZ97
Guide to Pharmacology 7012
LINCS LSM-36365
MolPort MolPort-028-600-029
Nikkaji J3.125.295D
PubChem 68210102
PubChem: Thomson Pharma 163478057
SureChEMBL SCHEMBL12180401
ZINC ZINC000072318146

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