EcoDrugPlus


Synonyms	Emlenoflast Inzomelid MCC-7840 MCC7840
Status
Molecule Category	Free-form
UNII	SC4RYG0M76

Synonyms

Emlenoflast

Inzomelid

MCC-7840

MCC7840

Status

Molecule Category

Free-form

UNII

SC4RYG0M76


InChI Key	MTOUOUSKXWSTAX-UHFFFAOYSA-N
Smiles	CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChI	InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)

InChI Key

MTOUOUSKXWSTAX-UHFFFAOYSA-N

Smiles

CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1

InChI

InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)

Property Name	Value
Molecular Formula	C19H24N4O3S
Molecular Weight	388.49
AlogP	2.95
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	93.09
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C19H24N4O3S

Molecular Weight

388.49

AlogP

2.95

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

93.09

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	1995067-59-8
ChEMBL	CHEMBL4650350
FDA SRS	SC4RYG0M76

Resources

Reference

CAS NUMBER

1995067-59-8

ChEMBL

CHEMBL4650350

FDA SRS

SC4RYG0M76

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, 27^th July 2026

INZOMELID

Structure

Physicochemical Descriptors

Cross References