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Compound Detail

CHEMBL393195

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O=C(NCc1ccccc1)c1cccc2c1Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393195
Phase Preclinical
Structure Type MOL
InChI Key XMWAVSCSFFSYTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
5.95
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H23N3O2
MW 457.53
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
17490879 10.1016/j.bmcl.2007.04.055 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine