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Compound Detail

CHEMBL3930841

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C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS(=O)(=O)CC(N)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3930841
Phase Preclinical
Structure Type MOL
InChI Key RGEUASSNKIFBFX-SFHVURJKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
1.35
ALogP
7
HBA
2
HBD
138.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN5O3S
MW 401.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.83

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine