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Compound Detail

CHEMBL4646280

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CN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc(OCC(O)CN3CCNCC3)cc2)CC1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646280
Phase Preclinical
Structure Type MOL
InChI Key UEFKZSOBWHTRBJ-UHFFFAOYSA-N
Parent Compound CHEMBL4651211
Active Moiety CHEMBL4651211
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.7
MW (Da)
2.28
ALogP
6
HBA
3
HBD
80.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42Cl2FN5O3
MW 586.58
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
32285676 10.1021/acs.jmedchem.0c00002 5-hydroxytryptamine receptor 2A 2

Data from ChEMBL 36 via Core Engine