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Compound Detail

CHEMBL2208201

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Cn1c(=O)c2cc3c(cc2c2ccccc21)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2208201
Phase Preclinical
Structure Type MOL
InChI Key CDCHSQZENQTMRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.42
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO3
MW 253.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
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