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Compound Detail

CHEMBL3787675

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Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787675
Phase Preclinical
Structure Type MOL
InChI Key QMKGXAFNTAMENM-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
2.23
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.89
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 C16H19BrN4O
MW 363.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
26994846 10.1016/j.ejmech.2016.03.016 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine