| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA285898
Max Phase: Preclinical
Molecular Formula: C23H37NO2
Molecular Weight: 359.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1
Standard InChI: InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
Standard InChI Key: HXBKNTPSKWVIGR-UHFFFAOYSA-N
Associated Targets(Human)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM1 Tclin Muscarinic acetylcholine receptors; M1 & M2 (498 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM3 Tclin Muscarinic acetylcholine receptors; M2 & M3 (708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM4 Tclin Muscarinic acetylcholine receptor M2 and M4 (224 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHRM3 Tclin Muscarinic acetylcholine receptor M1 and M3 (256 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Cavia porcellus (23802 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Amy2 Pancreatic alpha-amylase (15 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: No | 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: 359.55 | Molecular Weight (Monoisotopic): 359.2824 | AlogP: 5.19 | #Rotatable Bonds: 10 |
| Polar Surface Area: 29.54 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.32 | CX LogP: 5.77 | CX LogD: 2.95 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.43 | Np Likeness Score: -0.57 |
References
| 1. Leader H, Gordon RK, Baumgold J, Boyd VL, Newman AH, Smejkal RM, Chiang PK.. (1992) Muscarinic receptor subtype specificity of (N,N-dialkylamino)alkyl 2-cyclohexyl-2-phenylpropionates: cylexphenes (cyclohexyl-substituted aprophen analogues)., 35 (7): [PMID:1560441] [10.1021/jm00085a017] |
Source
Source(1):