EcoDrugPlus


Synonyms	A-200-0700 A200-0700 Mirogabalin
Status
Molecule Category	Free-form
ATC	N02BG11
UNII	S7LK2KDM5U
EPA CompTox	DTXSID001032301

Synonyms

A-200-0700

A200-0700

Mirogabalin

Status

Molecule Category

Free-form

ATC

N02BG11

UNII

S7LK2KDM5U

EPA CompTox

DTXSID001032301


InChI Key	FTBQORVNHOIASH-CKYFFXLPSA-N
Smiles	CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
InChI	InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1

InChI Key

FTBQORVNHOIASH-CKYFFXLPSA-N

Smiles

CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O

InChI

InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1

Property Name	Value
Molecular Formula	C12H19NO2
Molecular Weight	209.29
AlogP	1.78
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H19NO2

Molecular Weight

209.29

AlogP

1.78

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

63.32

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1138245-13-2
ChEMBL	CHEMBL3545125
DrugBank	DB11825
FDA SRS	S7LK2KDM5U
Guide to Pharmacology	8303
PubChem	59509752
SureChEMBL	SCHEMBL1816421
ZINC	ZINC000113907790

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

MIROGABALIN

Structure

Physicochemical Descriptors

Cross References