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Compound Detail

CHEMBL26856

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N=C(N)c1ccc(Oc2ccc(Oc3ccc(C(=N)N)cc3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL26856
Phase Preclinical
Structure Type MOL
InChI Key JARPXSXRDFAPLC-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.84
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O2
MW 346.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.08

Activity Summary

Ki 4 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Suppressor of tumorigenicity 14 protein
CHEMBL3018
Ki 6.7 6.69 200.0 2
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.71 5.71 1950.0 1
Prothrombin
CHEMBL204
Ki 5.57 5.57 2670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11311057 10.1021/jm000395x Suppressor of tumorigenicity 14 protein 1
11311057 10.1021/jm000395x Urokinase-type plasminogen activator 1
11311057 10.1021/jm000395x Prothrombin 1
24794746 10.1016/j.bmc.2014.04.013 Suppressor of tumorigenicity 14 protein 1

Data from ChEMBL 36 via Core Engine