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Compound Detail

CHEMBL255692

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CN(CCCC(O)(c1ccccc1)c1ccccc1)CCN(C)CCCC(O)(c1ccccc1)c1ccccc1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255692
Phase Preclinical
Structure Type MOL
InChI Key AGLGNGYZLGAMMU-UHFFFAOYSA-N
Parent Compound CHEMBL1182619
Active Moiety CHEMBL1182619
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

536.8
MW (Da)
6.28
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H46Cl2N2O2
MW 609.68
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.22

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M1 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M2 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M3 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M4 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine