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Compound Detail

CHEMBL4802773

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Cc1ccc(S(=O)(=O)N2CC3=C(NC(N)=NC3c3ccccc3F)/C(=C/c3ccccc3F)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802773
Phase Preclinical
Structure Type MOL
InChI Key QSRITWRBBVZPRB-XMHGGMMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
4.27
ALogP
5
HBA
2
HBD
87.8
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 C27H24F2N4O2S
MW 506.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine