Details of the Drug

General Information of Drug (ID: DMP3MOC)

Drug Name

Philanthotoxin-343

Synonyms

Philanthotoxin 343; Philanthotoxin-343; Phtx 343; AC1Q5PFY; CHEMBL16117; 115976-93-7; CHEBI:34920; AC1L4M0L; SCHEMBL8391460; N-[1-{3-[4-(3-Amino-propylamino)-butylamino]-propylcarbamoyl}-2-(4-hydroxy-phenyl)-ethyl]-butyramide; BDBM50094298; n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-n; A-butanoyl-l-tyrosinamide; C13806; Benzenepropanamide, N-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)-, (S)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

435.6

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

18

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H41N5O3
IUPAC Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
Canonical SMILES: CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCNCCCCNCCCN
InChI: InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
InChIKey: DTWANULJDRVTFI-NRFANRHFSA-N