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Compound Detail

CHEMBL5028385

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CN(C)c1ccc(/C=C/c2cc(/C=C3\Sc4ccccc4N3CCCN3CCOCC3)c3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028385
Phase Preclinical
Structure Type MOL
InChI Key DIPTYLICJXIMLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.8
MW (Da)
6.53
ALogP
5
HBA
0
HBD
22.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H39N4OS+
MW 563.79
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine