Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QUD44MBL5S

Structure

InChI Key JDLYOFUDIKMYBL-UHFFFAOYSA-N
Smile NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21
InChI
InChI=1S/C24H24FN5O2S/c25-17-1-2-18-16(13-23(32)30(15-22(26)31)20(18)14-17)4-7-28-8-10-29(11-9-28)24-19-5-12-33-21(19)3-6-27-24/h1-3,5-6,12-14H,4,7-11,15H2,(H2,26,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24FN5O2S
Molecular Weight 465.55
AlogP 2.6
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 84.46
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 1b (5-HT1b) receptor antagonist PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3183740
EPA CompTox DTXSID2047355
FDA SRS QUD44MBL5S
PubChem 9869105
SureChEMBL SCHEMBL1774264
ZINC ZINC000000602552