CILAZAPRIL


Synonyms	Anhydrous cilazapril Cilazapril Cilazapril anhydrous Cilazapril hydrate Cilazapril monohydrate Cilazaprilum Inhibace Initiss Justor RO 31-2848/006 RO-312848006 Vascace
Status
Molecule Category	UNKNOWN
ATC	C09AA08
UNII	8Q9454114Q
EPA CompTox	DTXSID1048629


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

Structure


InChI Key	HHHKFGXWKKUNCY-FHWLQOOXSA-N
Smiles	CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
InChI	InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H31N3O5
Molecular Weight	417.51
AlogP	1.6
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	99.18
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	30.0

Bioactivity

Mechanism of Action	Action	Reference
Angiotensin-converting enzyme inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed PubMed PubMed


Protein: Angiotensin-converting enzyme Description: Angiotensin-converting enzyme Organism : Homo sapiens P12821 ENSG00000159640

Cross References

Resources	Reference
ChEBI	3698
ChEMBL	CHEMBL515606
DrugBank	DB01340
DrugCentral	641
FDA SRS	8Q9454114Q
Human Metabolome Database	HMDB0015433
Guide to Pharmacology	6459
SureChEMBL	SCHEMBL24962
ZINC	ZINC000003781951

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).

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).