Details of the Drug

General Information of Drug (ID: DMOH8LD)

Drug Name
Senktide
Synonyms
Senktide; CHEMBL106124; Succinyl-6-asp-8-Me-phe-substance P (6-11); Substance P (6-11), succinyl-asp(6)-Me-phe(8)-; Substance P (6-11), succinyl-aspartyl(6)-methylphenylalanine(8)-; L-Methioninamide, N-(3-carboxy-1-oxopropyl)-L-alpha-aspartyl-L-phenylalanyl-N-methyl-L-phenylalanylglycyl-L-leucyl-
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Phase 2 [1]
Ischemic stroke 8B11.5Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 842
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 26
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C40H55N7O11S
IUPAC Name
(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
Canonical SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
InChIKey
HMHYXLVEFVGOPM-QKUYTOGTSA-N
Cross-matching ID
PubChem CID
108147
ChEBI ID
CHEMBL106124
CAS Number
106128-89-6
TTD ID
D05ZWG
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Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin alpha-4 (ITGA4) TT4BT06 ITA4_HUMAN Inhibitor [2]
Neuromedin-K receptor (TACR3) TTBPGLU NK3R_HUMAN Agonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Implication of nigral tachykinin NK3 receptors in the maintenance of hypertension in spontaneously hypertensive rats: a pharmacologic and autoradiographic study. Br J Pharmacol. 2003 Feb;138(4):554-63.