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Compound Detail

CHEMBL5028457

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CSc1ccc(/C=C/c2cc(/C=C3\Sc4ccccc4N3CCCN3CCOCC3)c3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028457
Phase Preclinical
Structure Type MOL
InChI Key GVJXDBXOTZUWGR-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

566.8
MW (Da)
7.19
ALogP
5
HBA
0
HBD
19.6
PSA (Ų)
0.17
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 C34H36N3OS2+
MW 566.82
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.94

Data from ChEMBL 36 via Core Engine