TENOCYCLIDINE

ID: ALA279676

Max Phase: Phase

Molecular Formula: C15H23NS

Molecular Weight: 249.42

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Representations

Synonyms (5): 2-thienyl analog of phencyclidine | Tenocyclidine | Thienylcyclidine | Thienylphencyclidine | Thiophene analog of phencyclidine
Synonyms from Alternative Forms(5):

Canonical SMILES: c1csc(C2(N3CCCCC3)CCCCC2)c1

Standard InChI: InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2

Standard InChI Key: JUZZEWSCNBCFRL-UHFFFAOYSA-N

Associated Targets(Human)

Lysosomal Pro-X carboxypeptidase 567 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigma opioid receptor 6358 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Menin/Histone-lysine N-methyltransferase MLL 48157 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Sigma opioid receptor 1607 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum 966862 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acetylcholine receptor protein alpha chain 109 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Musca domestica 713 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

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

Properties

Molecular Weight: 249.42	Molecular Weight (Monoisotopic): 249.1551	AlogP: 4.39	#Rotatable Bonds: 2
Polar Surface Area: 3.24	Molecular Species: BASE	HBA: 2	HBD: 0
#RO5 Violations: 0	HBA (Lipinski): 1	HBD (Lipinski): 0	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa: 10.15	CX LogP: 4.40	CX LogD: 1.72
Aromatic Rings: 1	Heavy Atoms: 17	QED Weighted: 0.75	Np Likeness Score: -0.68

References

1. Gray NM, Cheng BK, Mick SJ, Lair CM, Contreras PC.. (1989) Phencyclidine-like effects of tetrahydroisoquinolines and related compounds., 32 (6): [PMID:2542555] [10.1021/jm00126a016]
2. Kimes AS, Wilson AA, Scheffel U, Campbell BG, London ED.. (1992) Radiosynthesis, cerebral distribution, and binding of [125I]-1-(p-iodophenyl)-3-(1-adamantyl)guanidine, a ligand for sigma binding sites., 35 (25): [PMID:1469697] [10.1021/jm00103a005]
3. PubChem BioAssay data set,
4. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date,
5. TOMIZAWA M, OTSUKA H, MIYAMOTO T, YAMAMOTO I. (1995) Pharmacological Effects of Imidacloprid and Its Related Compounds on the Nicotinic Acetyicholine Receptor with Its Ion Channel from the Torpedo Electric Organ, 20 (1): [10.1584/jpestics.20.49]
6. TOMIZAWA M, OTSUKA H, MIYAMOTO T, ELDEFRAWI ME, YAMAMOTO I. (1995) Pharmacological Characteristics of Insect Nicotinic Acetyicholine Receptor with Its Ion Channel and the Comparison of the Effect of Nicotinoids and Neonicotinoids, 20 (1): [10.1584/jpestics.20.57]
7. PubChem BioAssay data set,