| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SULAMSEROD
ID: ALA303182
Max Phase: Unknown
Molecular Formula: C19H28ClN3O5S
Molecular Weight: 445.97
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): RS-100302
Synonyms from Alternative Forms(1):
Canonical SMILES: CS(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1
Standard InChI: InChI=1S/C19H28ClN3O5S/c1-29(25,26)22-6-9-23-7-4-13(5-8-23)2-3-16(24)14-12-15(20)17(21)19-18(14)27-10-11-28-19/h12-13,22H,2-11,21H2,1H3
Standard InChI Key: NBUGBCTWXCXBQD-UHFFFAOYSA-N
Associated Targets(non-human)
Serotonin 4 (5-HT4) receptor 653 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: Yes | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 445.97 | Molecular Weight (Monoisotopic): 445.1438 | AlogP: 1.92 | #Rotatable Bonds: 8 |
| Polar Surface Area: 110.96 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.35 | CX Basic pKa: 7.20 | CX LogP: 0.46 | CX LogD: 0.24 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.46 | Np Likeness Score: -1.08 |
References
| 1. Clark R, Jahangir A, Flippin L, Langston J, Leung E, Bonhaus D, Wong E, Johnson L, Eglen R. (1995) Rs-100235: A high affinity 5-HT4 receptor antagonist, 5 (18): [10.1016/0960-894X(95)00358-Z] |
| 2. Brudeli B, Andressen KW, Moltzau LR, Nilsen NO, Levy FO, Klaveness J.. (2013) Acidic biphenyl derivatives: synthesis and biological activity of a new series of potent 5-HT(4) receptor antagonists., 21 (22): [PMID:24113240] [10.1016/j.bmc.2013.09.004] |
Source
Source(1):