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Compound Detail

CHEMBL5173748

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COc1cc(-c2c(C#N)c(-c3ccccc3)nc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5173748
Phase Preclinical
Structure Type MOL
InChI Key ROIHZDWVIIQFFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
7.01
ALogP
6
HBA
1
HBD
84.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H22N4O2
MW 494.55
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
34731763 10.1016/j.ejmech.2021.113952 CCRF-CEM 2
34731763 10.1016/j.ejmech.2021.113952 NCI-H226 1
34731763 10.1016/j.ejmech.2021.113952 Tyrosine-protein kinase ABL1 1
34731763 10.1016/j.ejmech.2021.113952 SNB-75 1
34731763 10.1016/j.ejmech.2021.113952 SF-268 1
34731763 10.1016/j.ejmech.2021.113952 SF-539 1
34731763 10.1016/j.ejmech.2021.113952 SW-620 1
34731763 10.1016/j.ejmech.2021.113952 KM12 1
34731763 10.1016/j.ejmech.2021.113952 COLO 205 1
34731763 10.1016/j.ejmech.2021.113952 HCT-15 1
34731763 10.1016/j.ejmech.2021.113952 HCT-116 1
34731763 10.1016/j.ejmech.2021.113952 NCI-H23 1
34731763 10.1016/j.ejmech.2021.113952 K562 1
34731763 10.1016/j.ejmech.2021.113952 NCI-H322M 1
34731763 10.1016/j.ejmech.2021.113952 NCI-H522 1
34731763 10.1016/j.ejmech.2021.113952 NCI-H460 1
34731763 10.1016/j.ejmech.2021.113952 EKVX 1
34731763 10.1016/j.ejmech.2021.113952 A549 1
34731763 10.1016/j.ejmech.2021.113952 HOP-92 1
34731763 10.1016/j.ejmech.2021.113952 HOP-62 1

Data from ChEMBL 36 via Core Engine