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Compound Detail

CHEMBL5207822

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COc1ccc(-c2c(C#N)c(-c3ccccc3)nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207822
Phase Preclinical
Structure Type MOL
InChI Key LGIIDDMVHHTESV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
7.31
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H24N4O2
MW 508.58
Aromatic Rings 6
Heavy Atoms 39
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
34731763 10.1016/j.ejmech.2021.113952 K562 1
34731763 10.1016/j.ejmech.2021.113952 MV4-11 1
34731763 10.1016/j.ejmech.2021.113952 CCRF-CEM 1
34731763 10.1016/j.ejmech.2021.113952 Cyclin-dependent kinase 2 1
34731763 10.1016/j.ejmech.2021.113952 Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine