EcoDrugPlus


Synonyms	Intoplicine RP 60475 RP-60475 FREE BASE
Status
Molecule Category	Free-form
UNII	FB2CIN6HMI
EPA CompTox	DTXSID80155022

Synonyms

Intoplicine

RP 60475

RP-60475 FREE BASE

Status

Molecule Category

Free-form

UNII

FB2CIN6HMI

EPA CompTox

DTXSID80155022


InChI Key	QROONAIPJKQFMC-UHFFFAOYSA-N
Smiles	Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3cc(O)ccc3c12
InChI	InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)

InChI Key

QROONAIPJKQFMC-UHFFFAOYSA-N

Smiles

Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3cc(O)ccc3c12

InChI

InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)

Property Name	Value
Molecular Formula	C21H24N4O
Molecular Weight	348.45
AlogP	4.25
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	64.18
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C21H24N4O

Molecular Weight

348.45

AlogP

4.25

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

64.18

Molecular species

BASE

Aromatic Rings

4.0

Heavy Atoms

26.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	450-890	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

450-890

Resources	Reference
ChEBI	135474
ChEMBL	CHEMBL1908351
DrugBank	DB12868
DrugCentral	1446
FDA SRS	FB2CIN6HMI
PubChem	65954
SureChEMBL	SCHEMBL420414
ZINC	ZINC000001629400

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

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

INTOPLICINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References