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Compound Detail

CHEMBL1184525

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O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184525
Phase Preclinical
Structure Type MOL
InChI Key AUKQNOJPVLYMFE-ICKILNQYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
4.21
ALogP
8
HBA
0
HBD
125.7
PSA (Ų)
0.05
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H40N6O6+2
MW 688.78
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine