Details of the Drug

General Information of Drug (ID: DMXCJKY)

Drug Name
SLV-334
Indication
Disease Entry ICD 11 Status REF
Brain injury NA07.Z Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 556.6
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C33H36N2O6
IUPAC Name
(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-naphthalen-1-ylbutanoic acid
Canonical SMILES
C1CCC(C1)(C[C@@H](CCC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)N[C@H]4CCC5=CC=CC=C5N(C4=O)CC(=O)O
InChI
InChI=1S/C33H36N2O6/c36-29(37)21-35-28-13-4-2-9-24(28)16-17-27(30(35)38)34-32(41)33(18-5-6-19-33)20-25(31(39)40)15-14-23-11-7-10-22-8-1-3-12-26(22)23/h1-4,7-13,25,27H,5-6,14-21H2,(H,34,41)(H,36,37)(H,39,40)/t25-,27+/m1/s1
InChIKey
LOFDNSDPZTVIIO-VPUSJEBWSA-N
Cross-matching ID
PubChem CID
11215055
CAS Number
182821-33-6
UNII
3613ZP748K
DrugBank ID
DB15356
TTD ID
D03CPM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelin-converting enzyme (ECE) TT1BGDH NOUNIPROTAC Modulator [2]
Neutral endopeptidase (MME) TT5TKPM NEP_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The dual endothelin converting enzyme/neutral endopeptidase inhibitor SLV-306 (daglutril), inhibits systemic conversion of big endothelin-1 in humans. Life Sci. 2012 Oct 15;91(13-14):743-8.
2 Clinical trials in traumatic brain injury: past experience and current developments.Neurotherapeutics.2010 Jan;7(1):115-26.