Details of the Drug

General Information of Drug (ID: DMR35U4)

Drug Name

AMXT1501

Synonyms

(S)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide; 441022-64-6; CHEMBL474784; SCHEMBL10033849; N-(N6-Palmitoyl-L-lysyl)-4,9-diazadodecane-1,12-diamine

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

568.9

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

32

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C32H68N6O2
IUPAC Name: N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]hexadecanamide
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCCNCCCCNCCCN)N
InChI: InChI=1S/C32H68N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31(39)37-28-16-15-21-30(34)32(40)38-29-20-27-36-25-18-17-24-35-26-19-23-33/h30,35-36H,2-29,33-34H2,1H3,(H,37,39)(H,38,40)/t30-/m0/s1
InChIKey: USNCWPSRPOWEBG-PMERELPUSA-N

Cross-matching ID

PubChem CID: 9916009
TTD ID: DRL76S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polyamine transport (Poly trans)	TTJR4Z5	NOUNIPROTAC	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 (NCT03536728) Oral AMXT 1501 Dicaprate in Combination With DFMO. U.S. National Institutes of Health.
2	AMXT-1501, a novel polyamine transport inhibitor, synergizes with DFMO in inhibiting neuroblastoma cell proliferation by targeting both ornithine decarboxylase and polyamine transport. Int J Cancer. 2013 Sep 15;133(6):1323-33.