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Compound Detail

CHEMBL380566

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COc1ccc(/C=C(\C#N)C(=O)NCCNC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380566
Phase Preclinical
Structure Type MOL
InChI Key OSDQZQDJEULTLL-BEQMOXJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
1.86
ALogP
8
HBA
4
HBD
164.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O6
MW 462.46
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.19

Literature References

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

Data from ChEMBL 36 via Core Engine