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Compound Detail

CHEMBL122351

ADITEREN
🧪 Phase II
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🧪 Phase II
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122351
Name ADITEREN
Phase Phase II
Structure Type MOL
InChI Key WFBZIFZFHLQCPP-UHFFFAOYSA-N

Known Names

Aditeren Aditerene Aditereno
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names

Molecular Properties

275.3
MW (Da)
0.83
ALogP
7
HBA
3
HBD
122.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C13H17N5O2
MW 275.31
Aromatic Rings 2
Heavy Atoms 20

Activity Summary

IC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dihydrofolate reductase
CHEMBL1809
 IC50 8.0 8.0 10.0 1
Dihydrofolate reductase
CHEMBL3565
 IC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dihydrofolate reductase IC50 = 10.0 nM 8.0 Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli 3100802
Dihydrofolate reductase IC50 = 810.0 nM 6.09 Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrho... 3100802

Literature References

PubMed DOI Target Context # Activities
3100802 10.1021/jm00385a017 Dihydrofolate reductase 3

Data from ChEMBL 36 via Core Engine