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Compound Detail

CHEMBL4543954

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COc1cccc(O)c1C(=O)Nc1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4543954
Phase Preclinical
Structure Type MOL
InChI Key RCSIJEYVTSOFBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.52
ALogP
4
HBA
2
HBD
82.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O3
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
31253529 10.1016/j.bmcl.2019.06.023 HL-60 1
31253529 10.1016/j.bmcl.2019.06.023 KG-1 1
31253529 10.1016/j.bmcl.2019.06.023 Unchecked 1

Data from ChEMBL 36 via Core Engine