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Compound Detail

CHEMBL95685

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CC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2cc(F)c(N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95685
Phase Preclinical
Structure Type MOL
InChI Key PTNZPCZNDRLIPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
0.91
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27FN6O2
MW 378.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
10425096 10.1021/jm981098j 5-hydroxytryptamine receptor 4 3
10425096 10.1021/jm981098j Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine