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Compound Detail

CHEMBL4596502

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CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596502
Phase Preclinical
Structure Type MOL
InChI Key VIMJTXGSLFCMHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
2.26
ALogP
8
HBA
3
HBD
126.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6O3S
MW 416.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.63

Data from ChEMBL 36 via Core Engine