Details of the Drug

General Information of Drug (ID: DM6OLGC)

Drug Name

MK-3207

Synonyms

957116-20-0; MK-3207 Hydrochloride; MK-3207 (Hydrochloride); MK-3207 HCl; MK-3207 HCl salt; 2-((R)-8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)-N-((R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-Pyrrolo[2,3-b]pyridin]-5-yl)acetamide hydrochloride; MK3207; (8R)-8-(3,5-Difluorophenyl)-10-oxo-n-[(2r)-1,1',2',3-tetrahydro-2'-oxospiro[2h-indene-2,3'-[3h]pyrrolo[2,3-b]pyridin]-5-yl]-6,9-diazaspiro[4.5]decane-9-acetamide hydrochloride; MK 3207 hydrochloride; MK-3207(Hydrochloride); MK3207 HCl

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

557.6

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C31H29F2N5O3
IUPAC Name: 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
Canonical SMILES: C1CCC2(C1)C(=O)N([C@@H](CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4
InChI: InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1
InChIKey: AZAANWYREOQRFB-SETSBSEESA-N

Cross-matching ID

PubChem CID: 25019940
CAS Number: 957118-49-9
UNII: 5C44M1QYCC
DrugBank ID: DB12424
TTD ID: D00MXN

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcitonin gene-related peptide receptor (CGRPR)	TTY6O0Q	CALRL_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00712725) MK3207 for Treatment of Acute Migraines (3207-005). U.S. National Institutes of Health.
2	Pharmacological properties of MK-3207, a potent and orally active calcitonin gene-related peptide receptor antagonist. J Pharmacol Exp Ther. 2010 Apr;333(1):152-60.