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Compound Detail

CHEMBL562621

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O=c1cc(-c2cc3ccccc3o2)[nH]c2cc3c(cc12)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562621
Phase Preclinical
Structure Type MOL
InChI Key MSYCCBZQUSDSLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
3.67
ALogP
4
HBA
1
HBD
64.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11NO4
MW 305.29
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
19719238 10.1021/jm900456w NON-PROTEIN TARGET 2
19719238 10.1021/jm900456w Unchecked 1
19719238 10.1021/jm900456w HL-60 1
19719238 10.1021/jm900456w HCT-116 1
19719238 10.1021/jm900456w A549 1
19719238 10.1021/jm900456w KB 1
19719238 10.1021/jm900456w DU-145 1

Data from ChEMBL 36 via Core Engine