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Compound Detail

CHEMBL477966

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CCOC(=O)c1cc2c(oc1=O)-c1c(cn(Cc3ccccc3)c1C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477966
Phase Preclinical
Structure Type MOL
InChI Key CXHCGVVGOSYMGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.74
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.66
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 C22H21NO4
MW 363.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
19230658 10.1016/j.bmcl.2009.01.096 ADMET 3
19230658 10.1016/j.bmcl.2009.01.096 LoVo 3
19230658 10.1016/j.bmcl.2009.01.096 K562 3
19230658 10.1016/j.bmcl.2009.01.096 Jurkat 3

Data from ChEMBL 36 via Core Engine