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Compound Detail

CHEMBL3233408

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CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)N3CCC(F)(F)CC3)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL3233408
Phase Preclinical
Structure Type MOL
InChI Key YNYJUMPPJZXNLG-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.15
ALogP
4
HBA
0
HBD
30.0
PSA (Ų)
0.75
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 C23H32F2N4O
MW 418.53
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
24559051 10.1021/jm401958n 5-hydroxytryptamine receptor 2A 1
24559051 10.1021/jm401958n 5-hydroxytryptamine receptor 2C 1
24559051 10.1021/jm401958n D(2) dopamine receptor 1
24559051 10.1021/jm401958n Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine