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Compound Detail

CHEMBL269341

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N#Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL269341
Phase Preclinical
Structure Type MOL
InChI Key ULAVWFANALBEHR-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.58
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 C22H14N4O2
MW 366.38
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.11

Activity Summary

IC50 3 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 5.53 5.53 2950.0 2
MAP kinase p38
CHEMBL2094115
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20176484 10.1016/j.bmcl.2010.01.140 TGF-beta receptor type-1 2
11855979 10.1021/jm010493y TGF-beta receptor type-1 1
11855979 10.1021/jm010493y MAP kinase p38 1

Data from ChEMBL 36 via Core Engine