EcoDrugPlus


Synonyms	(-)-sirpiglenastat DRP-104 Drp-104 Sirpiglenastat
Status
Molecule Category	Free-form
UNII	9GGE6A0ZMK

Synonyms

(-)-sirpiglenastat

DRP-104

Drp-104

Sirpiglenastat

Status

Molecule Category

Free-form

UNII

9GGE6A0ZMK


InChI Key	LQNMCWOJACNQQM-PMACEKPBSA-N
Smiles	CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C
InChI	InChI=1S/C22H27N5O5/c1-13(2)32-22(31)19(9-8-16(29)12-25-23)27-21(30)20(26-14(3)28)10-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,19-20,24H,8-10H2,1-3H3,(H,26,28)(H,27,30)/t19-,20-/m0/s1

InChI Key

LQNMCWOJACNQQM-PMACEKPBSA-N

Smiles

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C

InChI

InChI=1S/C22H27N5O5/c1-13(2)32-22(31)19(9-8-16(29)12-25-23)27-21(30)20(26-14(3)28)10-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,19-20,24H,8-10H2,1-3H3,(H,26,28)(H,27,30)/t19-,20-/m0/s1

Property Name	Value
Molecular Formula	C22H27N5O5
Molecular Weight	441.49
AlogP	1.3
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	153.76
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C22H27N5O5

Molecular Weight

441.49

AlogP

1.3

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

153.76

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	2079939-05-0
ChEMBL	CHEMBL4650367
FDA SRS	9GGE6A0ZMK

Resources

Reference

CAS NUMBER

2079939-05-0

ChEMBL

CHEMBL4650367

FDA SRS

9GGE6A0ZMK

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

SIRPIGLENASTAT

Structure

Physicochemical Descriptors

Cross References