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Compound Detail

CHEMBL3617558

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CN1CCC(C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617558
Phase Preclinical
Structure Type MOL
InChI Key LUOYPVLRTPIJKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.00
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.87
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 C19H20FN3O2
MW 341.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
26271587 10.1016/j.bmcl.2015.07.042 5-hydroxytryptamine receptor 1A 2
26271587 10.1016/j.bmcl.2015.07.042 5-hydroxytryptamine receptor 1D 2
26271587 10.1016/j.bmcl.2015.07.042 5-hydroxytryptamine receptor 1B 2
26271587 10.1016/j.bmcl.2015.07.042 5-hydroxytryptamine receptor 1F 1
26271587 10.1016/j.bmcl.2015.07.042 5-HT1A/5-HT1F 1
26271587 10.1016/j.bmcl.2015.07.042 5-HT1B/5-HT1F 1
26271587 10.1016/j.bmcl.2015.07.042 5-HT1D/5-HT1F 1

Data from ChEMBL 36 via Core Engine