EcoDrugPlus


Synonyms	Hdm 201 NVP-HDM 201 Siremadlin
Status
Molecule Category	Free-form
UNII	0282IF4JC8

Synonyms

Hdm 201

NVP-HDM 201

Siremadlin

Status

Molecule Category

Free-form

UNII

0282IF4JC8


InChI Key	AGBSXNCBIWWLHD-FQEVSTJZSA-N
Smiles	COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
InChI	InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1

InChI Key

AGBSXNCBIWWLHD-FQEVSTJZSA-N

Smiles

COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1

InChI

InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1

Property Name	Value
Molecular Formula	C26H24Cl2N6O4
Molecular Weight	555.42
AlogP	4.69
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	6.0
Polar Surface Area	104.37
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C26H24Cl2N6O4

Molecular Weight

555.42

AlogP

4.69

Hydrogen Bond Acceptor

9.0

Number of Rotational Bond

6.0

Polar Surface Area

104.37

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

38.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Other nuclear protein	-	-	-	0.21	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Other nuclear protein

0.21

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	0.21	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

0.21

Resources	Reference
ChEMBL	CHEMBL3653256
DrugBank	DB16331
FDA SRS	0282IF4JC8
PDB	9QW
PubChem	71678098
SureChEMBL	SCHEMBL15142060

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PDB

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

SIREMADLIN

Structure

Physicochemical Descriptors

Pharmacology

Cross References