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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2007423
CHEMBL2007423
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33N5O10

Additional synonyms for CHEMBL2007423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.OC(C=O)C(O)C(O)C(O ...
Download SMILES
Standard InChI InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-1 ...
Download InChI
Standard InChI Key ZCJXQWYMBJYJNB-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL2007423. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL2007423

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 CHEMBL2007423. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL1809 Dihydrofolate reductase Escherichia coli K-12 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 1.000
CHEMBL5457 Dihydrofolate reductase Mycobacterium avium 1.000
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 1.000
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL2329 Dihydrofolate reductase Candida albicans 1.000
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL2695 Focal adhesion kinase 1 Homo sapiens 0.994
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 0.941
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 0.773
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.773
CHEMBL2345 Ribosomal protein S6 kinase alpha 3 Homo sapiens 0.684
CHEMBL3963 Dihydrofolate reductase Plasmodium berghei str. ANKA 0.472
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.435
CHEMBL4045 AMP-activated protein kinase, alpha-1 subunit Homo sapiens 0.350
CHEMBL2292 Dual-specificity tyrosine-phosphorylation regulated kinase 1A Homo sapiens 0.243



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL202 Dihydrofolate reductase Homo sapiens 1.000
CHEMBL1809 Dihydrofolate reductase Escherichia coli K-12 1.000
CHEMBL5441 Dihydrofolate reductase Escherichia coli 1.000
CHEMBL5457 Dihydrofolate reductase Mycobacterium avium 1.000
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 1.000
CHEMBL2329 Dihydrofolate reductase Candida albicans 1.000
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 1.000
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 1.000
CHEMBL2695 Focal adhesion kinase 1 Homo sapiens 0.999
CHEMBL3394 Tubulin beta chain Bos taurus 0.988
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 0.936
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 0.924
CHEMBL4600 Serine/threonine-protein kinase PAK 1 Homo sapiens 0.850
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.827
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.615
CHEMBL3835 Serine/threonine-protein kinase NEK2 Homo sapiens 0.509
CHEMBL1952 Thymidylate synthase Homo sapiens 0.499

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.4 369.1801 2.78 6 117.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.09 1.76 .73 3 27 0.61

Compound Cross References

ChemSpider ChemSpider:ZCJXQWYMBJYJNB-UHFFFAOYSA-N
PubChem SID: 463773

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2007423



ACToR 82952-64-5
PubChem 336805

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