Details of the Drug

General Information of Drug (ID: DMF9SOV)

• Drug Name: WTLNSAGYLL-CONH2
• Synonyms: AR-M 1896; 367518-31-8; CHEMBL578710; WTLNSAGYLL-CONH2; Galanin-2-11-NH..2..; Gal(2-11)amide; galanin(2-11); AC1O44IJ; Galanin(2-11)porcine,rat; BDBM50307252; AKOS024457247; GALANIN (2-11) (PORCINE, RAT); Galanin (2-11) porcine, rat, >=97% (HPLC), lyophilized powder

Indication

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

• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1136.3
  Logarithm of the Partition Coefficient (xlogp); -0.3
  Rotatable Bond Count (rotbonds); 33
  Hydrogen Bond Donor Count (hbonddonor); 16
  Hydrogen Bond Acceptor Count (hbondacc); 15
• Chemical Identifiers:
  Formula: C54H81N13O14
  IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide
  Canonical SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)O
  InChI: InChI=1S/C54H81N13O14/c1-26(2)17-37(46(57)73)62-49(76)38(18-27(3)4)63-51(78)40(20-31-13-15-33(70)16-14-31)61-44(72)24-59-47(74)29(7)60-53(80)42(25-68)66-52(79)41(22-43(56)71)64-50(77)39(19-28(5)6)65-54(81)45(30(8)69)67-48(75)35(55)21-32-23-58-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,58,68-70H,17-22,24-25,55H2,1-8H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,80)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,81)(H,66,79)(H,67,75)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1
  InChIKey: SUJPPMXJCZETOA-ZKEPBWIVSA-N
• Cross-matching ID:
  PubChem CID: 6324638
  TTD ID: D0PY7O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Galanin receptor type 1 (GAL1-R)	TTX3HNZ	GALR1_HUMAN	Inhibitor	[1]
Galanin receptor type 2 (GAL2-R)	TTBPW3J	GALR2_HUMAN	Inhibitor	[1]

References

• [1] Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic de... J Med Chem. 2010 Feb 25;53(4):1871-5.