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Compound Detail

CHEMBL3621990

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Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621990
Phase Preclinical
Structure Type MOL
InChI Key XYOWXAVBJRMQHW-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
4.83
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.43
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 C21H17NO
MW 299.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00371C HCT-116 1
- 10.1039/C4MD00371C HL-60 1
- 10.1039/C4MD00371C OVCAR-8 1
- 10.1039/C4MD00371C SF-295 1
- 10.1039/C4MD00371C PBMC 1

Data from ChEMBL 36 via Core Engine