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Compound Detail

CHEMBL4092094

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O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1Nc2ccccc2N(C(=O)CN2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092094
Phase Preclinical
Structure Type MOL
InChI Key GHGZEDCRCSFXDI-UHFFFAOYSA-N
Parent Compound CHEMBL4117491
Active Moiety CHEMBL4117491
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

586.6
MW (Da)
4.47
ALogP
6
HBA
2
HBD
105.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H32F6N6O8
MW 814.70
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
28388054 10.1021/acs.jmedchem.6b01892 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine