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Compound Detail

CHEMBL4212315

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Nc1ncnc2c1c(-c1cccnc1)nn2C1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212315
Phase Preclinical
Structure Type MOL
InChI Key PMEMCUMUXPIZRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6
MW 342.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
28131712 10.1016/j.bmcl.2017.01.045 Serine/threonine-protein kinase ATR 1

Data from ChEMBL 36 via Core Engine