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Compound Detail

CHEMBL2208206

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CCOC(=O)CCn1c(=O)c2cc3c(cc2c2ccccc21)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2208206
Phase Preclinical
Structure Type MOL
InChI Key NITMZBGVDDZNHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.84
ALogP
6
HBA
0
HBD
66.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO5
MW 339.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
23190013 10.1021/np3005425 ADMET 1
23190013 10.1021/np3005425 HT-29 1
23190013 10.1021/np3005425 HepG2 1
23190013 10.1021/np3005425 A549 1
23190013 10.1021/np3005425 K562 1
23190013 10.1021/np3005425 HL-60 1

Data from ChEMBL 36 via Core Engine