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Compound Detail

CHEMBL4802461

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N#Cc1ccc(S(=O)(=O)N2CC3=C(NC(N)=NC3c3cccc(F)c3)/C(=C/c3cccc(F)c3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802461
Phase Preclinical
Structure Type MOL
InChI Key PYTLZOLHNMYDRR-RGVLZGJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

517.6
MW (Da)
3.84
ALogP
6
HBA
2
HBD
111.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21F2N5O2S
MW 517.56
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine