EcoDrugPlus


Synonyms	Cyclandelate Cyclergine Cyclobral Cyclolyt Cyclomandol Cyclospasmol NSC-758910 Natil Novodil Perebral Spasmocyclon (3m)
Status
Molecule Category	Free-form
ATC	C04AX01
UNII	4139O1OAY2
EPA CompTox	DTXSID4022862

Synonyms

Cyclandelate

Cyclergine

Cyclobral

Cyclolyt

Cyclomandol

Cyclospasmol

NSC-758910

Natil

Novodil

Perebral

Spasmocyclon (3m)

Status

Molecule Category

Free-form

ATC

C04AX01

UNII

4139O1OAY2

EPA CompTox

DTXSID4022862


InChI Key	WZHCOOQXZCIUNC-UHFFFAOYSA-N
Smiles	CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1
InChI	InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3

InChI Key

WZHCOOQXZCIUNC-UHFFFAOYSA-N

Smiles

CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1

InChI

InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3

Property Name	Value
Molecular Formula	C17H24O3
Molecular Weight	276.38
AlogP	3.48
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	46.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H24O3

Molecular Weight

276.38

AlogP

3.48

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

46.53

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

20.0

Resources	Reference
ChEBI	3988
ChEMBL	CHEMBL1480987
DrugBank	DB04838
DrugCentral	747
FDA SRS	4139O1OAY2
Human Metabolome Database	HMDB0015586
PharmGKB	PA164748026
PubChem	2893
SureChEMBL	SCHEMBL5123

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

PharmGKB

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CYCLANDELATE

Structure

Physicochemical Descriptors

Cross References