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Compound Detail

CHEMBL4745367

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CNc1ccn2ncc(-c3cccc(OC)c3)c2n1

Basic Information

ChEMBL ID CHEMBL4745367
Phase Preclinical
Structure Type MOL
InChI Key ZJCYAMJZCUOTFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.45
ALogP
5
HBA
1
HBD
51.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O
MW 254.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-2
CHEMBL4267
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34055221 10.1021/acsmedchemlett.0c00679 TGF-beta receptor type-2 1
34055221 10.1021/acsmedchemlett.0c00679 Activin receptor type-2A 1
34055221 10.1021/acsmedchemlett.0c00679 Unchecked 1

Data from ChEMBL 36 via Core Engine