EcoDrugPlus


Synonyms	Afimetoran BMS-986256 Bms-986256
Status
Molecule Category	Free-form
UNII	LXP7MZL0VF

Synonyms

Afimetoran

BMS-986256

Bms-986256

Status

Molecule Category

Free-form

UNII

LXP7MZL0VF


InChI Key	SNFVHLQYHFQOEP-UHFFFAOYSA-N
Smiles	Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C
InChI	InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33)

InChI Key

SNFVHLQYHFQOEP-UHFFFAOYSA-N

Smiles

Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C

InChI

InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33)

Property Name	Value
Molecular Formula	C26H32N6O
Molecular Weight	444.58
AlogP	4.28
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	92.31
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C26H32N6O

Molecular Weight

444.58

AlogP

4.28

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

92.31

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

33.0

Resources	Reference
ChEMBL	CHEMBL4650329
FDA SRS	LXP7MZL0VF

Resources

Reference

ChEMBL

CHEMBL4650329

FDA SRS

LXP7MZL0VF

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

AFIMETORAN

Structure

Physicochemical Descriptors

Cross References