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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:32193
CAS Number: 37686-84-3
DrugBank ID: DB13399
TTD ID: D01ZOB
INTEDE ID: DR1559

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Prolactin (PRL)	OTWFQGX7	PRL_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Transdihydrolisuride in parkinsonism. Clin Neuropharmacol. 1987;10(1):57-64. doi: 10.1097/00002826-198702000-00005.