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Compound Detail

CHEMBL395036

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COc1cc(C(=O)c2ccc3c(ccn3CCC(=O)O)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395036
Phase Preclinical
Structure Type MOL
InChI Key YRCRFJSDTQZPTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.37
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO6
MW 383.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
17685504 10.1021/jm070557q KB 1
17685504 10.1021/jm070557q NON-PROTEIN TARGET 1
17685504 10.1021/jm070557q NCI-H460 1
17685504 10.1021/jm070557q HT-29 1
17685504 10.1021/jm070557q TSGH 1
17685504 10.1021/jm070557q MKN-45 1

Data from ChEMBL 36 via Core Engine