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Compound Detail

CHEMBL1311826

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COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12

Basic Information

ChEMBL ID CHEMBL1311826
Phase Preclinical
Structure Type MOL
InChI Key CLRFQYDSYIRYQC-UHFFFAOYSA-N
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
4.67
ALogP
5
HBA
1
HBD
67.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O2
MW 293.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.65

Activity Summary

EC50 9 meas. best 6.78
IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 6.78 6.78 168.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.45 6.45 357.0 1
Unchecked
CHEMBL612545
EC50 6.22 5.585 598.0 2
ATP-dependent molecular chaperone HSP82
CHEMBL1293251
EC50 6.18 5.76 656.0 3
Streptococcus
CHEMBL612313
EC50 5.57 5.57 2675.0 1
Beta-galactosidase
CHEMBL1293264
EC50 4.63 4.63 23550.0 1
Matrix metalloproteinase-14
CHEMBL3869
IC50 4.62 4.62 23800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine