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Compound Detail

CHEMBL251473

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CC(CO)NC(=N)c1c(O)nsc1Nc1ccc(-n2cccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251473
Phase Preclinical
Structure Type MOL
InChI Key CRCNLDNCVSQFLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.07
ALogP
8
HBA
5
HBD
119.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N6O2S
MW 358.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
17035018 10.1016/j.bmcl.2006.09.067 Serine/threonine-protein kinase Chk2 1

Data from ChEMBL 36 via Core Engine