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Compound Detail

CHEMBL4786324

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C=CC(=O)Nc1ccc([S+]([O-])N2CCCC(Nc3ncc(SCc4cccnc4)s3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4786324
Phase Preclinical
Structure Type MOL
InChI Key WMPKFJAZEBFMOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
4.55
ALogP
8
HBA
2
HBD
93.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5O2S3
MW 499.69
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine