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Compound Detail

CHEMBL481757

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COc1nccc(-c2ncn(Cc3cccc(C(N)=O)c3)c2-c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481757
Phase Preclinical
Structure Type MOL
InChI Key GCKIWFODOQQTPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.30
ALogP
6
HBA
1
HBD
95.9
PSA (Ų)
0.53
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 C22H18FN5O2
MW 403.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
18571921 10.1016/j.bmcl.2008.06.007 TGF-beta receptor type-1 1
18571921 10.1016/j.bmcl.2008.06.007 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine