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Compound Detail

CHEMBL3330139

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NCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330139
Phase Preclinical
Structure Type MOL
InChI Key MARMCAFQUOLXGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.50
ALogP
5
HBA
4
HBD
99.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5OS
MW 325.40
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
25042558 10.1016/j.bmc.2014.06.044 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine