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Compound Detail

CHEMBL3360959

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O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360959
Phase Preclinical
Structure Type MOL
InChI Key KYIKABPVDUWJBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
4.59
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.40
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 C27H21N5O
MW 431.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
25435150 10.1016/j.bmcl.2014.11.011 Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine