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Compound Detail

CHEMBL241178

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Cn1ccnc1Sc1cc(C(=O)NCc2ccccc2)c(N)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241178
Phase Preclinical
Structure Type MOL
InChI Key FTDLYMZMJODHOV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.22
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4OS
MW 356.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17719791 10.1016/j.bmc.2007.08.003 Unchecked 1

Data from ChEMBL 36 via Core Engine