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Compound Detail

CHEMBL3622300

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CC1(C)CC2=C(O1)c1ccccc1/C(=N/Nc1ccccc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622300
Phase Preclinical
Structure Type MOL
InChI Key VLHHVGONFVWCOI-XLNRJJMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O2
MW 318.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00371C HL-60 1
- 10.1039/C4MD00371C HCT-116 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