TRANDOLAPRIL


Trade Names	MAVIK TRANDOLAPRIL
Synonyms	Gopten Indolapril Mavik NSC-758939 Odrik RU 44570 RU-44570 Trandolapril
Status
Molecule Category	Free-form
ATC	C09AA10
UNII	1T0N3G9CRC
EPA CompTox	DTXSID2023692


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

Structure


InChI Key	VXFJYXUZANRPDJ-WTNASJBWSA-N
Smiles	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
InChI	InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H34N2O5
Molecular Weight	430.55
AlogP	2.77
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	95.94
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	31.0

Pharmacology

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


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family	-	1	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	102

Related Entries

Cross References

Resources	Reference
ChEBI	9649
ChEMBL	CHEMBL1519
DrugBank	DB00519
DrugCentral	2712
FDA SRS	1T0N3G9CRC
Human Metabolome Database	HMDB0014660
Guide to Pharmacology	6453
KEGG	D00383
PharmGKB	PA451737
PubChem	5484727
SureChEMBL	SCHEMBL16610
ZINC	ZINC000001853205

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).