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Compound Detail

CHEMBL3622302

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CC1(C)OC2=C(C(=O)/C(=N\Nc3ccccc3)c3ccccc32)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622302
Phase Preclinical
Structure Type MOL
InChI Key POSJMNNUCJZGCL-JWGURIENSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.97
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.83
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 C20H18N2O3
MW 334.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.33

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