Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1559)
Drug Name
ZK-31224
Synonyms
Dironyl; S(+)-Terguride; Tergurid; Tergurida; Tergurida [Spanish]; Terguride [INN]; Terguridum; Terguridum [Latin]; Transdihydrolisuride; ZK 31224; terguride; trans-Dihydro Lisuride; trans-Dihydrolisuride; (+)-(5R,8S,10R)-Terguride; (+)-Terguride; (5R,8S,10R)-Terguride; 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea; 21OJT43Q88; 37686-84-3; 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline; 9,10-alpha-Dihydrolisuride; BRN 0766582; CHEMBL73151; EINECS 253-624-2; MLS000069833; SMR000058934; TDHL; UNII-21OJT43Q88
Indication Pulmonary hypertension [ICD11: BB01] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 340.5 Topological Polar Surface Area 51.4
Heavy Atom Count 25 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
443951
PubChem SID
7848411 ; 10299440 ; 11466973 ; 11468093 ; 11486805 ; 11533045 ; 12013758 ; 14753698 ; 24278800 ; 36887095 ; 47365364 ; 47515474 ; 48035299 ; 48334658 ; 49699375 ; 57404568 ; 75574382 ; 92125876 ; 103272403 ; 103914554 ; 103928787 ; 104631021 ; 124800150 ; 124893608 ; 134223771 ; 135651246 ; 136112725 ; 137249381 ; 141724362 ; 144204835 ; 162226496 ; 164840227 ; 175268337 ; 179150405 ; 223554845 ; 224890546 ; 226513252 ; 241066802
ChEBI ID
CHEBI:32193
CAS Number
37686-84-3
TTD Drug ID
D01ZOB
Formula
C20H28N4O
Canonical SMILES
CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
InChIKey
JOAHPSVPXZTVEP-YXJHDRRASA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
6-norterguride DM005693 N. A. Unclear 1 [3] , [2]
N"-monodeethylterguride DM005692 N. A. Unclear 1 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006074 ZK-31224 N"-monodeethylterguride Unclear CYP3A4 [3], [2]
MR006075 ZK-31224 6-norterguride Unclear CYP3A4 [3], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Clinical pipeline report, company report or official report of Pfizer.
2 Cytochromes P450 and experimental models of drug metabolism. J Cell Mol Med. 2002 Apr-Jun;6(2):189-98.
3 Antiserotonergic properties of terguride in blood vessels, platelets, and valvular interstitial cells

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