EcoDrugPlus


Synonyms	NSC-366140 NSC-627168 PD 115934 PD-115934 Pyrazoloacridine
Status
Molecule Category	Free-form
UNII	L24XJN68OW

Synonyms

NSC-366140

NSC-627168

PD 115934

PD-115934

Pyrazoloacridine

Status

Molecule Category

Free-form

UNII

L24XJN68OW


InChI Key	HZCWPKGYTCJSEB-UHFFFAOYSA-N
Smiles	COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2
InChI	InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3

InChI Key

HZCWPKGYTCJSEB-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2

InChI

InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3

Property Name	Value
Molecular Formula	C19H21N5O3
Molecular Weight	367.41
AlogP	3.63
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	85.46
Molecular species	ZWITTERION
Aromatic Rings	3.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C19H21N5O3

Molecular Weight

367.41

AlogP

3.63

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

85.46

Molecular species

ZWITTERION

Aromatic Rings

3.0

Heavy Atoms

27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	136	-	-	-
Mus musculus	-	424-424	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

136

Mus musculus

424-424

Resources	Reference
ChEMBL	CHEMBL118841
DrugBank	DB12549
FDA SRS	L24XJN68OW
PubChem	339455
SureChEMBL	SCHEMBL867991
ZINC	ZINC000003778885

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

PYRAZOLOACRIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References