Details of the Drug

General Information of Drug (ID: DM8XBR1)

Drug Name

Ac-SFWKYS-NH2

Synonyms

CHEMBL1163474

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): 4

Molecular Weight (mw)

858

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

24

Hydrogen Bond Donor Count (hbonddonor)

12

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C43H55N9O10
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-amino-N-[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
Canonical SMILES: CC(=O)N[C@@H](CO)C(=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[C@@H](CO)C(=O)N
InChI: InChI=1S/C43H55N9O10/c1-25(55)47-37(24-54)43(62)50-33(19-26-9-3-2-4-10-26)40(59)51-35(21-28-22-46-31-12-6-5-11-30(28)31)42(61)48-32(13-7-8-18-44)39(58)49-34(20-27-14-16-29(56)17-15-27)41(60)52-36(23-53)38(45)57/h2-6,9-12,14-17,22,32-37,46,53-54,56H,7-8,13,18-21,23-24,44H2,1H3,(H2,45,57)(H,47,55)(H,48,61)(H,49,58)(H,50,62)(H,51,59)(H,52,60)/t32-,33-,34-,35-,36-,37-/m0/s1
InChIKey: QNAVIRFMKUQHRS-DUGSHLAESA-N