Details of the Drug

General Information of Drug (ID: DMHW289)

Drug Name

DCC-3014

Synonyms

Vimseltinib; UNII-PX9FTM69BF; PX9FTM69BF; DCC3014; 1628606-05-2; 2-(isopropylamino)-3-methyl-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one; 3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one; Vimseltinib [INN]; SCHEMBL16047448; GTPL11190; EX-A4700; NSC828316; NSC-828316; example 10 [WO2014145025A2]; HY-136256; CS-0121044; 3-Methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-4(3H)-pyrimidinone; 4(3H)-Pyrimidinone, 3-methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[1]
Haematological malignancy	2B33.Y	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

431.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C23H25N7O2
IUPAC Name: 3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one
Canonical SMILES: CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C
InChI: InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)
InChIKey: TVGAHWWPABTBCX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 86267612
CAS Number: 1628606-05-2
UNII: PX9FTM69BF
DrugBank ID: DB17520
TTD ID: D9RH0V

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Macrophage colony-stimulating factor 1 receptor (CSF1R)	TT7MRDV	CSF1R_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT03069469) Study of DCC-3014 in Patients With Advanced Tumors and Tenosynovial Giant Cell Tumor. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)