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Compound Detail

CHEMBL197177

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O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197177
Phase Preclinical
Structure Type MOL
InChI Key GRGISMWLVHLPGG-JMQWPVDRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
2.64
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O6
MW 426.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
16302817 10.1021/jm040208l Dynamin-1 1

Data from ChEMBL 36 via Core Engine