EcoDrugPlus


Synonyms	Ridinilazole SMT-19969 SMT19969 Smt19969
Status
Molecule Category	UNKNOWN
UNII	06DX01190R

Synonyms

Ridinilazole

SMT-19969

SMT19969

Smt19969

Status

Molecule Category

UNKNOWN

UNII

06DX01190R


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	UHQFBTAJFNVZIV-UHFFFAOYSA-N
Smiles	c1cc(-c2nc3cc(-c4ccc5[nH]c(-c6ccncc6)nc5c4)ccc3[nH]2)ccn1
InChI	InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)

InChI Key

UHQFBTAJFNVZIV-UHFFFAOYSA-N

Smiles

c1cc(-c2nc3cc(-c4ccc5[nH]c(-c6ccncc6)nc5c4)ccc3[nH]2)ccn1

InChI

InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)

Property Name	Value
Molecular Formula	C24H16N6
Molecular Weight	388.43
AlogP	5.23
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	83.14
Molecular species	NEUTRAL
Aromatic Rings	6.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H16N6

Molecular Weight

388.43

AlogP

5.23

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

83.14

Molecular species

NEUTRAL

Aromatic Rings

6.0

Heavy Atoms

30.0

Resources	Reference
ChEMBL	CHEMBL3753858
DrugBank	DB15308
FDA SRS	06DX01190R
Guide to Pharmacology	10853
PubChem	16659285
SureChEMBL	SCHEMBL413723
ZINC	ZINC000113778168

Resources

Reference

ChEMBL

CHEMBL3753858

DrugBank

DB15308

FDA SRS

06DX01190R

Guide to Pharmacology

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

RIDINILAZOLE

Structure

Physicochemical Descriptors

Cross References