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Compound Detail

CHEMBL4849385

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Fc1ccc2c(c1)C(C1=CCNCC1)=Nc1cc(Cl)ccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849385
Phase Preclinical
Structure Type MOL
InChI Key VMCOQPDINSDQFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
4.58
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClFN3
MW 327.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
33691168 10.1016/j.bmcl.2021.127911 Muscarinic acetylcholine receptor M1 2
33691168 10.1016/j.bmcl.2021.127911 Muscarinic acetylcholine receptor M2 1
33691168 10.1016/j.bmcl.2021.127911 Muscarinic acetylcholine receptor M3 1
33691168 10.1016/j.bmcl.2021.127911 Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine