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Compound Detail

CHEMBL220210

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CC#Cc1c(OC)ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220210
Phase Preclinical
Structure Type MOL
InChI Key NVZLIUIGTDYISV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.80
ALogP
5
HBA
1
HBD
69.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO5
MW 379.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
17286393 10.1021/jm061348t NCI-H460 1

Data from ChEMBL 36 via Core Engine