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Compound Detail

CHEMBL209771

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CCN(CC)c1c(-c2nc3ccccc3[nH]2)c(O)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209771
Phase Preclinical
Structure Type MOL
InChI Key AFGBSTYFMJSMGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.33
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.58
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 C20H20N4O
MW 332.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
16603354 10.1016/j.bmcl.2006.03.059 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine