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Compound Detail

CHEMBL5222644

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N#Cc1ccc(Nc2cnccc2SCc2ccccc2C(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222644
Phase Preclinical
Structure Type MOL
InChI Key KGXQVNQQKUPQGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
5.84
ALogP
5
HBA
2
HBD
86.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17N3O2S
MW 411.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine