Details of the Drug

General Information of Drug (ID: DM5INE7)

Drug Name

NM-3

Synonyms

NM-3; 181427-78-1; isocoumarin NM-3; NM 3 (isocoumarin); NM 3; NM-3 (isocoumarin); AC1NUU2Q; SCHEMBL3191297; CTK4D7870; 2-(8-Hydroxy-6-methoxy-1-oxo-1H-isochromen-3-yl)propionic acid; 8-Hydroxy-6-methoxy-alpha-methyl-1-oxo-1H-2-benzopyran-3-acetic acid; AKOS030619018; DB12818; FT-0717128; 2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid; 2-(8-hydroxy-6-methoxy-1-oxo-1h-2-benzopyran-3-yl) propionic acid; 2-(8-hydroxy-6-methoxy-1-oxo-1H-isochromen-3-yl)propanoic acid; 1H-2-Benzopyran-3-aceticacid, 8-hydroxy-6-methox

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

264.23

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C13H12O6
IUPAC Name: 2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid
Canonical SMILES: CC(C1=CC2=CC(=CC(=C2C(=O)O1)O)OC)C(=O)O
InChI: InChI=1S/C13H12O6/c1-6(12(15)16)10-4-7-3-8(18-2)5-9(14)11(7)13(17)19-10/h3-6,14H,1-2H3,(H,15,16)
InChIKey: BPZCXUROMKDLGX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5493470
CAS Number: 181427-78-1
DrugBank ID: DB12818
TTD ID: D09HFJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor (VEGF)	TT9HKJA	VEGFA_HUMAN ; VEGFB_HUMAN ; VEGFC_HUMAN ; VEGFD_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00046696) A Study of NM-3 Administered Orally in Patients With Advanced Solid Tumors.. U.S. National Institutes of Health.
2	2-(8-hydroxy-6-methoxy-1-oxo-1h-2-benzopyran-3-yl) propionic acid, an inhibitor of angiogenesis, ameliorates renal alterations in obese type 2 diabetic mice. Diabetes. 2006 May;55(5):1232-42.