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Compound Detail

CHEMBL1164595

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O=C1Nc2ccc(C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc2/C1=C1/Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164595
Phase Preclinical
Structure Type MOL
InChI Key GOFSZVRLCMWDGA-YRMDJBCDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
-1.18
ALogP
9
HBA
8
HBD
188.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O8
MW 469.45
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
20488718 10.1016/j.bmc.2010.04.066 No relevant target 1
20488718 10.1016/j.bmc.2010.04.066 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine