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Compound Detail

CHEMBL3883462

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Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3883462
Phase Preclinical
Structure Type MOL
InChI Key IFPNTBROOBJEGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.8
MW (Da)
3.31
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.72
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 C16H15ClN4O
MW 314.78
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
27914948 10.1016/j.bmc.2016.11.018 ADMET 5
27914948 10.1016/j.bmc.2016.11.018 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine