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Compound Detail

CHEMBL4786981

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

Basic Information

ChEMBL ID CHEMBL4786981
Phase Preclinical
Structure Type MOL
InChI Key ZDNCEJGOXOHAIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.9
MW (Da)
4.94
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClF2N4O3S
MW 490.92
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine