TANDOSPIRONE

Search structure
Synonyms:
Status: Approved
Entry Type: Unknown
Molecule Category: Parent

Structure
InChI Key CEIJFEGBUDEYSX-FZDBZEDMSA-N
Smile O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChI
InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29N5O2
Molecular Weight 383.5
AlogP 1.41
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 0.02989
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -14.68-6.98
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 460 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 5.8-32 -

Indications

Mesh Heading Maximum Phase Reference
Schizophrenia Phase 4 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
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