Structure

InChI Key RPZBRGFNBNQSOP-UHFFFAOYSA-N
Smile Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChI
InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClN5O2
Molecular Weight 478.0
AlogP 4.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 102.29
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Serotonin 1a (5-HT1a) receptor partial agonist FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
21.51
Nervous system disorders
19.6
General disorders and administration site conditions
11.84
Gastrointestinal disorders
10.69
Injury, poisoning and procedural complications
8.84
Skin and subcutaneous tissue disorders
5.06
Musculoskeletal and connective tissue disorders
4.01
Cardiac disorders
3.52
Vascular disorders
3.47
Investigations
2.93

Cross References

Resources Reference
ChEBI 70705
ChEMBL CHEMBL1615374
FDA SRS U8HTX2GK8J
KEGG D09698
PubChem 6918313
SureChEMBL SCHEMBL867358
ZINC ZINC01542113