EcoDrugPlus


Synonyms	RO 24-7429 Ro 24-7429 Ro-24-7429
Status
Molecule Category	Free-form
UNII	MLW2GKK8LI
EPA CompTox	DTXSID20161021

Synonyms

RO 24-7429

Ro 24-7429

Ro-24-7429

Status

Molecule Category

Free-form

UNII

MLW2GKK8LI

EPA CompTox

DTXSID20161021


InChI Key	LEAKQIXYSHIHCW-UHFFFAOYSA-N
Smiles	CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1
InChI	InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)

InChI Key

LEAKQIXYSHIHCW-UHFFFAOYSA-N

Smiles

CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1

InChI

InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)

Property Name	Value
Molecular Formula	C14H13ClN4
Molecular Weight	272.74
AlogP	2.77
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	52.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H13ClN4

Molecular Weight

272.74

AlogP

2.77

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

52.54

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

19.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 Tat protein antagonist	ANTAGONIST	ClinicalTrials PubMed

Mechanism of Action

Action

Reference

Human immunodeficiency virus type 1 Tat protein antagonist

ANTAGONIST

ClinicalTrials PubMed

Resources	Reference
ChEBI	93522
ChEMBL	CHEMBL2360841
DrugBank	DB16062
FDA SRS	MLW2GKK8LI
PubChem	135422895
SureChEMBL	SCHEMBL2050520
ZINC	ZINC000000005304

Resources

Reference

ChEBI

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

RO-24-7429

Structure

Physicochemical Descriptors

Pharmacology

Cross References