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Compound Detail

CHEMBL4642682

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CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)[C@@H](N)CCC(=O)O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642682
Phase Preclinical
Structure Type MOL
InChI Key XNCJZUZMCKLAQE-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.6
MW (Da)
3.76
ALogP
5
HBA
3
HBD
125.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39FN4O5
MW 542.65
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.20

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