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Compound Detail

CHEMBL414187

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CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL414187
Phase Preclinical
Structure Type MOL
InChI Key XDSKCHPSIVKGHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
3.19
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19FN2
MW 246.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
8487257 10.1021/jm00061a010 Sodium-dependent serotonin transporter 1
8487257 10.1021/jm00061a010 Serotonin 2 (5-HT2) receptor 1
8487257 10.1021/jm00061a010 Adrenergic receptor alpha-1 1
8487257 10.1021/jm00061a010 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine