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Compound Detail

CHEMBL1808221

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COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)=NN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808221
Phase Preclinical
Structure Type MOL
InChI Key BNPMHXSUWQBONJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
1.76
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O4
MW 328.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
21708465 10.1016/j.bmcl.2011.05.103 ALK tyrosine kinase receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Insulin receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine