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Compound Detail

CHEMBL4534495

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Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(C(=O)O)ccc2n1C/C(F)=C/CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4534495
Phase Preclinical
Structure Type MOL
InChI Key IAOICZAENMLTOU-MFOYZWKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.38
ALogP
5
HBA
2
HBD
105.6
PSA (Ų)
0.58
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 C22H24FN3O4S
MW 445.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
31580073 10.1021/acs.jmedchem.9b01283 ADMET 1

Data from ChEMBL 36 via Core Engine