EcoDrugPlus


Synonyms	SP-2577 SP2577 Seclidemstat Sp-2577
Status
Molecule Category	Free-form
UNII	TYH386V3WJ

Synonyms

SP-2577

SP2577

Seclidemstat

Sp-2577

Status

Molecule Category

Free-form

UNII

TYH386V3WJ


InChI Key	MVSQDUZRRVBYLA-HYARGMPZSA-N
Smiles	C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O
InChI	InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+

InChI Key

MVSQDUZRRVBYLA-HYARGMPZSA-N

Smiles

C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O

InChI

InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+

Property Name	Value
Molecular Formula	C20H23ClN4O4S
Molecular Weight	450.95
AlogP	2.14
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	102.31
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H23ClN4O4S

Molecular Weight

450.95

AlogP

2.14

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

102.31

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

30.0

Resources	Reference
ChEMBL	CHEMBL4297641
FDA SRS	TYH386V3WJ
PubChem	135565033
SureChEMBL	SCHEMBL14697017

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

SECLIDEMSTAT

Structure

Physicochemical Descriptors

Cross References