SERTINDOLE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AE03
UNII: GVV4Z879SP

Structure
InChI Key GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Smile O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChI
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26ClFN4O
Molecular Weight 440.95
AlogP 4.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 40.51
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-1 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.5585
Enzyme Transferase
- - - - 6.021-12.54
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.61-3.95
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2.7-14.79 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 6300-8900 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 2300 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3.4-3.4 - 0.33-0.33 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 4.1-4.1 - 0.38-7.4 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 0.51-570 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 0.39-0.48 - 0.2-1.3 -
Transporter Electrochemical transporter
- - - - 81.8
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 6500 - - 74

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Cognitive Dysfunction 3 D060825 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9122
ChEMBL CHEMBL12713
DrugBank DB06144
DrugCentral 2435
EPA CompTox DTXSID6048967
FDA SRS GVV4Z879SP
Human Metabolome Database HMDB15618
Guide to Pharmacology 98
KEGG C07567
PharmGKB PA164784002
PubChem 60149
SureChEMBL SCHEMBL112092
ZINC ZINC000000538337
CONTENTS