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Compound Detail

CHEMBL4206529

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c1ccc2c(c1)CCC(n1nc(-c3cnc4[nH]ccc4c3)c3cncnc31)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206529
Phase Preclinical
Structure Type MOL
InChI Key LULOUUUSWPJLJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.10
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.51
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 C22H18N6
MW 366.43
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.79

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