EcoDrugPlus


Synonyms	RG-7906 RG7906 RO-6889450 RO6889450 Ralmitaront Ro6889450
Status
Molecule Category	Free-form
UNII	QA8MW1Q80P

Synonyms

RG-7906

RG7906

RO-6889450

RO6889450

Ralmitaront

Ro6889450

Status

Molecule Category

Free-form

UNII

QA8MW1Q80P


InChI Key	XHHXGKRFUPEPFM-OAHLLOKOSA-N
Smiles	CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C
InChI	InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1

InChI Key

XHHXGKRFUPEPFM-OAHLLOKOSA-N

Smiles

CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C

InChI

InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1

Property Name	Value
Molecular Formula	C17H22N4O2
Molecular Weight	314.39
AlogP	2.19
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	79.04
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C17H22N4O2

Molecular Weight

314.39

AlogP

2.19

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

79.04

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

23.0

Resources	Reference
ChEMBL	CHEMBL4594376
FDA SRS	QA8MW1Q80P
SureChEMBL	SCHEMBL19356836

Resources

Reference

ChEMBL

CHEMBL4594376

FDA SRS

QA8MW1Q80P

SureChEMBL

SCHEMBL19356836

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

RALMITARONT

Structure

Physicochemical Descriptors

Cross References