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Compound Detail

CHEMBL3417200

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Cc1cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c(=O)n(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417200
Phase Preclinical
Structure Type MOL
InChI Key FHOJEYNXOCSTLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
1.85
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.76
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 C15H15N5O2S
MW 329.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
25800647 10.1016/j.ejmech.2015.03.032 MV4-11 1
25800647 10.1016/j.ejmech.2015.03.032 MAP kinase-interacting serine/threonine-protein kinase 2 1
25800647 10.1016/j.ejmech.2015.03.032 MAP kinase-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine