EcoDrugPlus


Synonyms	Gacyclidine NST-001 Nst-001
Status
Molecule Category	UNKNOWN
UNII	9290ND070R

Synonyms

Gacyclidine

NST-001

Nst-001

Status

Molecule Category

UNKNOWN

UNII

9290ND070R


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	DKFAAPPUYWQKKF-UHFFFAOYSA-N
Smiles	CC1CCCCC1(c1cccs1)N1CCCCC1
InChI	InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3

InChI Key

DKFAAPPUYWQKKF-UHFFFAOYSA-N

Smiles

CC1CCCCC1(c1cccs1)N1CCCCC1

InChI

InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3

Property Name	Value
Molecular Formula	C16H25NS
Molecular Weight	263.45
AlogP	4.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H25NS

Molecular Weight

263.45

AlogP

4.64

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

2.0

Polar Surface Area

3.24

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

18.0

Resources	Reference
ChEMBL	CHEMBL3989791
FDA SRS	9290ND070R
PubChem	176265
SureChEMBL	SCHEMBL3457748

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

GACYCLIDINE

Structure

Physicochemical Descriptors

Cross References