Details of the Drug

General Information of Drug (ID: DMZNFPG)

Drug Name
Terguride
Synonyms
terguride; Dironyl; 37686-84-3; trans-Dihydrolisuride; (+)-Terguride; (5R,8S,10R)-Terguride; S(+)-Terguride; UNII-21OJT43Q88; TDHL; Transdihydrolisuride; (+)-(5R,8S,10R)-Terguride; CHEMBL73151; MLS000069833; Terguride [INN]; 21OJT43Q88; Terguridum [Latin]; Tergurida [Spanish]; SMR000058934; 9,10-alpha-Dihydrolisuride; 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea; Terguridum; Tergurida; Tergurid; EINECS 253-624-2; BRN 0766582; ZK 31224; trans-Dihydro Lisuride; 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline
Indication
Disease Entry ICD 11 Status REF
Pulmonary arterial hypertension BB01.0 Phase 2 [1]
ATC Code
G02CB06: Terguride
G02CB: Prolactine inhibitors
G02C: OTHER GYNECOLOGICALS
G02: OTHER GYNECOLOGICALS
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H28N4O
IUPAC Name
3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Canonical SMILES
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
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
Cross-matching ID
PubChem CID
443951
ChEBI ID
CHEMBL73151
CAS Number
37686-84-3
UNII
21OJT43Q88
DrugBank ID
DB13399
TTD ID
D01ZOB
INTEDE ID
DR1559
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 56).
2 Cytochromes P450 and experimental models of drug metabolism. J Cell Mol Med. 2002 Apr-Jun;6(2):189-98.