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Compound Detail

CHEMBL3771266

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COc1cc(Cc2nc3ccccc3[nH]2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771266
Phase Preclinical
Structure Type MOL
InChI Key GXCSSGQCHNSMTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.18
ALogP
4
HBA
1
HBD
56.4
PSA (Ų)
0.79
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 C17H18N2O3
MW 298.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
26976506 10.1016/j.bmc.2016.03.012 Unchecked 2

Data from ChEMBL 36 via Core Engine