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]
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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: CHEBI:93399
CAS Number: 100999-26-6
TTD ID: D0BQ8M

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.