EcoDrugPlus


Synonyms	Bl-1021
Status
Molecule Category	Mixture
UNII	7Q35V52Q2Z

Synonyms

Bl-1021

Status

Molecule Category

Mixture

UNII

7Q35V52Q2Z


InChI Key	DOIAVGICIXNFIH-UHFFFAOYSA-N
Smiles	CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN
InChI	InChI=1S/C23H28N2O/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22/h2-5,8-12H,6-7,13-17,24H2,1H3

InChI Key

DOIAVGICIXNFIH-UHFFFAOYSA-N

Smiles

CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN

InChI

InChI=1S/C23H28N2O/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22/h2-5,8-12H,6-7,13-17,24H2,1H3

Property Name	Value
Molecular Formula	C23H28N2O
Molecular Weight	348.49
AlogP	3.8
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	46.33
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H28N2O

Molecular Weight

348.49

AlogP

3.8

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

46.33

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

26.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-
Rattus norvegicus	-	-	-	-	6-11

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Rattus norvegicus

6-11

Resources	Reference
CAS NUMBER	1002331-76-1
ChEMBL	CHEMBL490932
FDA SRS	7Q35V52Q2Z
PubChem	24898306
CAS NUMBER	1002331-76-1
ChEMBL	CHEMBL1187120
FDA SRS	7Q35V52Q2Z
PubChem	24898306
SureChEMBL	SCHEMBL12074796
ZINC	ZINC000040423537

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

CAS NUMBER

ChEMBL

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, 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

BL-1021

Structure

Physicochemical Descriptors

Pharmacology

Cross References