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Compound Detail

CHEMBL5222295

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CN(C)c1ccc(-c2ccc(/C=C/C3=CC(=C(C#N)C#N)c4ccccc4N3CCCS(=O)(=O)O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222295
Phase Preclinical
Structure Type MOL
InChI Key GMYRKIBSIVVRBL-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

542.7
MW (Da)
5.98
ALogP
7
HBA
1
HBD
108.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N4O3S2
MW 542.69
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine