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Compound Detail

CHEMBL3763579

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COc1ccc(-c2nc(N)n(-c3ncnc4cc(OC)c(OC)cc34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763579
Phase Preclinical
Structure Type MOL
InChI Key OSLTZDMHTAYQIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.49
ALogP
9
HBA
1
HBD
110.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O3
MW 378.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
26632965 10.1021/acs.jmedchem.5b01092 BJ 1
26632965 10.1021/acs.jmedchem.5b01092 No relevant target 1
26632965 10.1021/acs.jmedchem.5b01092 Serine-protein kinase ATM 1

Data from ChEMBL 36 via Core Engine