Details of the Drug

General Information of Drug (ID: DMP8TKA)

Drug Name
CY-208243
Synonyms
Indolophenanthridine; CY 208-243; 100999-26-6; CY-208-243; 4,6,6a,7,8,12b-Hexahydro-7-methylindolo(4,3-ab)-phenanthridine; Indolo(4,3-ab)phenanthridine, 4,6,6a,7,8,12b-hexahydro-7-methyl-, trans-(-)-; (6aR,12bR)-7-methyl-4,6,6a,7,8,12b-hexahydroindolo[4,3-ab]phenanthridine; Tocris-1249; AC1L1ODE; Biomol-NT_000032; AC1Q1IN1; CHEMBL313737; BPBio1_001225; SCHEMBL9364562; DTXSID9042598; CHEBI:93399; MolPort-003-983-825; HMS3267H13; ZINC26501186; AKOS024456489; API0009347; NCGC00025078-01; NCGC00025078-02; LS-183405
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 274.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H18N2
IUPAC Name
(2R,11R)-10-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
Canonical SMILES
CN1CC2=CC=CC=C2[C@H]3[C@H]1CC4=CNC5=CC=CC3=C45
InChI
InChI=1S/C19H18N2/c1-21-11-12-5-2-3-6-14(12)19-15-7-4-8-16-18(15)13(10-20-16)9-17(19)21/h2-8,10,17,19-20H,9,11H2,1H3/t17-,19-/m1/s1
InChIKey
WRNKIDLXXXIELU-IEBWSBKVSA-N
Cross-matching ID
PubChem CID
58144
ChEBI ID
CHEMBL93399
CAS Number
100999-26-6
TTD ID
D0BQ8M
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 Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Agonist [2]
Neuron-specific vesicular protein calcyon (CALY) TT0R12H CALY_HUMAN Activator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Decrease of behavioral and biochemical denervation supersensitivity of rat striatum by nigral transplants. Neuroscience. 1991;44(1):75-83.
2 The D-1 dopamine receptor partial agonist, CY 208-243, exhibits antiparkinsonian activity in the MPTP-treated marmoset. Eur J Pharmacol. 1988 Nov 1;156(2):197-206.
3 Dopamine D1 receptor agonists induce penile erections in rats. Eur J Pharmacol. 2003 Jan 26;460(1):71-4.