Details of the Drug

General Information of Drug (ID: DMZ0D3V)

Drug Name

GRC-6211

Synonyms

Oxolinic acid; oxolinic acid; 14698-29-4; Nidantin; Prodoxol; Prodoxal; Emyrenil; Dioxacin; Gramurin; Oxolinic; Oksaren; Ossian; Uroxol; Utibid; Urotrate; Uritrate; Pietil; Oxoboi; Ultibid; Starner; Acido oxolinico; Uro-alvar; Acide oxolinique; Acidum oxolinicum; Cistopax; Tiurasin; Orthurine; Acido ossolico; 5-Ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid; NSC-110364; Urinox; Acido ossolico [DCIT]; 5-Ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid; 1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid; GRC-6127; TRPV1 antagonists (asthma), Glenmark/Lilly; TRPV1 antagonists (incontinence), Glenmark/Lilly; TRPV1 antagonists (pain), Glenmark/Lilly; Transient receptor potential vanilloid sub-family 1 (pain), Glenmark/ Lilly; Vanilloid receptor VR1 antagonists (incontinence/pain/asthma), Glenmark/Lilly

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

377.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H20FN3O2
IUPAC Name: 1-[(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-isoquinolin-5-ylurea
Canonical SMILES: C1CC2(C1)C[C@H](C3=C(O2)C=CC(=C3)F)NC(=O)NC4=CC=CC5=C4C=CN=C5
InChI: InChI=1S/C22H20FN3O2/c23-15-5-6-20-17(11-15)19(12-22(28-20)8-2-9-22)26-21(27)25-18-4-1-3-14-13-24-10-7-16(14)18/h1,3-7,10-11,13,19H,2,8-9,12H2,(H2,25,26,27)/t19-/m1/s1
InChIKey: JADKHWDNSKIILG-LJQANCHMSA-N

Cross-matching ID

PubChem CID: 138393987
TTD ID: D00MAN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Inhibitor	[2]
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Antagonist	[3]

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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 800024886)
2	Activity of fluoroquinolone antibiotics against Plasmodium falciparum in vitro. Antimicrob Agents Chemother. 1988 Aug;32(8):1182-6.
3	GRC-6211, a new oral specific TRPV1 antagonist, decreases bladder overactivity and noxious bladder input in cystitis animal models. J Urol. 2009 Jan;181(1):379-86.