Details of the Drug

General Information of Drug (ID: DMZPRIG)

• Drug Name: GWTLNSAGYLLGPHAV-NH2
• Synonyms: CHEMBL508083; GWTLNSAGYLLGPHAV-NH2

Indication

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

• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1654.9
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 47
  Hydrogen Bond Donor Count (hbonddonor); 22
  Hydrogen Bond Acceptor Count (hbondacc); 22
• Chemical Identifiers:
  Formula: C77H115N21O20
  IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)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-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]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)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CN)O
  InChI: InChI=1S/C77H115N21O20/c1-37(2)23-50(68(109)84-34-62(105)98-22-14-17-58(98)76(117)93-55(28-46-32-81-36-85-46)69(110)87-42(10)67(108)96-63(40(7)8)65(80)106)90-70(111)51(24-38(3)4)91-72(113)53(26-44-18-20-47(101)21-19-44)89-61(104)33-83-66(107)41(9)86-75(116)57(35-99)95-73(114)56(29-59(79)102)92-71(112)52(25-39(5)6)94-77(118)64(43(11)100)97-74(115)54(88-60(103)30-78)27-45-31-82-49-16-13-12-15-48(45)49/h12-13,15-16,18-21,31-32,36-43,50-58,63-64,82,99-101H,14,17,22-30,33-35,78H2,1-11H3,(H2,79,102)(H2,80,106)(H,81,85)(H,83,107)(H,84,109)(H,86,116)(H,87,110)(H,88,103)(H,89,104)(H,90,111)(H,91,113)(H,92,112)(H,93,117)(H,94,118)(H,95,114)(H,96,108)(H,97,115)/t41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-/m0/s1
  InChIKey: QWMBNRVWDTXENF-LJQDGMHUSA-N
• Cross-matching ID:
  PubChem CID: 44587982
  TTD ID: D09SDZ

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] Design, synthesis, and characterization of high-affinity, systemically-active galanin analogues with potent anticonvulsant activities. J Med Chem. 2008 Dec 25;51(24):8038-47.