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Compound Detail

CHEMBL4442963

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N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442963
Phase Preclinical
Structure Type MOL
InChI Key VVAAVKBIVMHRIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.96
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N2O
MW 272.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.51

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