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Compound Detail

CHEMBL4796421

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CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccc(C(=O)O)cc4)cc23)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796421
Phase Preclinical
Structure Type MOL
InChI Key NVJJWRSOPGTJTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
3.98
ALogP
6
HBA
3
HBD
142.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F2N4O5S
MW 500.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine