EcoDrugPlus


Synonyms	Azd-9468 CXD101 Cxd-101 Cxd101 Hdac inhibitor cxd101 Hdac-in-4
Status
Molecule Category	Free-form
UNII	5TNV87ICD2

Synonyms

Azd-9468

CXD101

Cxd-101

Cxd101

Hdac inhibitor cxd101

Hdac-in-4

Status

Molecule Category

Free-form

UNII

5TNV87ICD2


InChI Key	JHDZMASHNBKTPS-UHFFFAOYSA-N
Smiles	Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChI	InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)

InChI Key

JHDZMASHNBKTPS-UHFFFAOYSA-N

Smiles

Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1

InChI

InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)

Property Name	Value
Molecular Formula	C24H29N5O
Molecular Weight	403.53
AlogP	3.94
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	76.18
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H29N5O

Molecular Weight

403.53

AlogP

3.94

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

76.18

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

30.0

Resources	Reference
ChEMBL	CHEMBL4297489
DrugBank	DB16182
FDA SRS	5TNV87ICD2
PubChem	16225380
SureChEMBL	SCHEMBL4785187
ZINC	ZINC000060328762

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

CXD-101

Structure

Physicochemical Descriptors

Cross References