Details of the Drug

General Information of Drug (ID: DMFRCM2)

Drug Name

Ro-19-8022

Synonyms

Ro 19-8022; 104604-66-2; 1-((10-Chloro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-2-pyrrolidine methanol; (R)-1-((10-Chloro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-2-pyrrolidinemethanol; 2-Pyrrolidinemethanol, 1-((10-chloro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-, (R)-; Ro-19-8022; (R)-1-[(10-chloro-4-oxo-3-phenyl-4H-benzo[a]quinolizin-1-yl)carbonyl]-2-pyrrolidinemethanol; AC1MHYOM; SCHEMBL9334361; CTK4A3158; DTXSID20146611; MAHSERINKSLHDX-LJQANCHMSA-N; ro19-8022

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

432.9

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C25H21ClN2O3
IUPAC Name: 10-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-phenylbenzo[a]quinolizin-4-one
Canonical SMILES: C1C[C@@H](N(C1)C(=O)C2=C3C4=C(C=CC(=C4)Cl)C=CN3C(=O)C(=C2)C5=CC=CC=C5)CO
InChI: InChI=1S/C25H21ClN2O3/c26-18-9-8-17-10-12-28-23(20(17)13-18)22(25(31)27-11-4-7-19(27)15-29)14-21(24(28)30)16-5-2-1-3-6-16/h1-3,5-6,8-10,12-14,19,29H,4,7,11,15H2/t19-/m1/s1
InChIKey: MAHSERINKSLHDX-LJQANCHMSA-N

Cross-matching ID

PubChem CID: 3035058
CAS Number: 104604-66-2
TTD ID: D0Z7AN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001584)
2	Partial agonist of benzodiazepine receptors Ro 19-8022 elicits withdrawal symptoms after short-term administration in immature rats. Physiol Res. 2012;61(3):319-23.