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Compound Detail

CHEMBL372090

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COc1cc(C2C(C#N)=C(N)Oc3cc(Nc4ccccc4)ccc32)cc2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372090
Phase Preclinical
Structure Type MOL
InChI Key SESTYEZUCQDYSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.39
ALogP
7
HBA
2
HBD
98.8
PSA (Ų)
0.65
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 C24H19N3O4
MW 413.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
16143530 10.1016/j.bmcl.2005.07.066 T47D 1
16143530 10.1016/j.bmcl.2005.07.066 NCI-H1299 1

Data from ChEMBL 36 via Core Engine