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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1899143
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H27ClN2O3

Additional synonyms for CHEMBL1899143 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2 ...
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Standard InChI InChI=1S/C20H24N2O2.ClH.H2O/c1-3-13-12-22-9-7-14(13)10-19(22 ...
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  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1899143. 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.


ChEMBL_ID Target Name Organism Score
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 1.000
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.522
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.482


ChEMBL_ID Target Name Organism Score
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.999
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.792
CHEMBL2535 Glucose transporter Homo sapiens 0.401
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.341
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.267

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
324.4 324.1838 2.73 4 45.59 BASE

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.8 9.28 2.82 .98 2 24 0.88

Structural Alerts

There are 3 structural alerts for CHEMBL1899143. To view alerts please click here.

Compound Cross References

PubChem SID: 56320921

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1899143

eMolecules 26751208
PubChem 16219919

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