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Compound Detail

CHEMBL480189

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NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(sc5ccccc54)c32)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480189
Phase Preclinical
Structure Type MOL
InChI Key BMEOIRPXOKQKLD-JYRVWZFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.82
ALogP
5
HBA
3
HBD
100.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N4O2S2
MW 368.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
19111462 10.1016/j.bmcl.2008.12.001 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine