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Compound Detail

CHEMBL3632737

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COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3632737
Phase Preclinical
Structure Type MOL
InChI Key UGGVQUHIBMOFDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
64.1
PSA (Ų)
0.75
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 C15H12FN3O2S
MW 317.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
26408454 10.1016/j.ejmech.2015.09.008 MAP kinase-interacting serine/threonine-protein kinase 2 1
26408454 10.1016/j.ejmech.2015.09.008 MV4-11 1
26408454 10.1016/j.ejmech.2015.09.008 Mus musculus 1
26408454 10.1016/j.ejmech.2015.09.008 MAP kinase-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine