Details of the Drug

General Information of Drug (ID: DM3XHIY)

Drug Name

Ac-FWKY-NH2

Synonyms

CHEMBL1165795

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): 3

Molecular Weight (mw)

683.8

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

18

Hydrogen Bond Donor Count (hbonddonor)

8

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C37H45N7O6
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
Canonical SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N
InChI: InChI=1S/C37H45N7O6/c1-23(45)41-32(20-24-9-3-2-4-10-24)36(49)44-33(21-26-22-40-29-12-6-5-11-28(26)29)37(50)42-30(13-7-8-18-38)35(48)43-31(34(39)47)19-25-14-16-27(46)17-15-25/h2-6,9-12,14-17,22,30-33,40,46H,7-8,13,18-21,38H2,1H3,(H2,39,47)(H,41,45)(H,42,50)(H,43,48)(H,44,49)/t30-,31-,32-,33-/m0/s1
InChIKey: YBFQDCKGFBIRPS-YRCZKMHPSA-N