OLINCIGUAT

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Search structure


Synonyms	IW-1701 IW1701 Iw-1701 Olinciguat
Status
Molecule Category	UNKNOWN
UNII	PD5F4ZXD21


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

Structure


InChI Key	YWQFJNWMWZMXRW-HXUWFJFHSA-N
Smiles	NC(=O)[C@](O)(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F
InChI	InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H16F5N7O3
Molecular Weight	509.4
AlogP	2.51
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	144.98
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	36.0

Bioactivity

Mechanism of Action	Action	Reference
Soluble guanylate cyclase positive allosteric modulator	POSITIVE ALLOSTERIC MODULATOR	PubMed


Protein: Soluble guanylate cyclase Description: Guanylate cyclase soluble subunit alpha-2 Organism : Homo sapiens P33402 ENSG00000152402











Protein: Soluble guanylate cyclase Description: Guanylate cyclase soluble subunit alpha-1 Organism : Homo sapiens Q02108 ENSG00000164116











Protein: Soluble guanylate cyclase Description: Guanylate cyclase soluble subunit beta-1 Organism : Homo sapiens Q02153 ENSG00000061918

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL4297616
DrugBank	DB15238
FDA SRS	PD5F4ZXD21
Guide to Pharmacology	10213
PubChem	90445883
SureChEMBL	SCHEMBL16081945

CONTENTS

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).