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Compound Detail

CHEMBL2419144

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N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419144
Phase Preclinical
Structure Type MOL
InChI Key LKCLUNGSZYJCSQ-RGVLZGJSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
5.03
ALogP
5
HBA
0
HBD
41.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10FN3S2
MW 339.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.77

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
23953686 10.1016/j.bmc.2013.07.005 Unchecked 1
23953686 10.1016/j.bmc.2013.07.005 Adenosine receptor A1 1
23953686 10.1016/j.bmc.2013.07.005 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine