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Compound Detail

CHEMBL198919

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

Basic Information

ChEMBL ID CHEMBL198919
Phase Preclinical
Structure Type MOL
InChI Key VJLSIUOXDXYWQL-FCXRPNKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
1.47
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.24
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 C20H20N2O6
MW 384.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.23

Literature References

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

Data from ChEMBL 36 via Core Engine