Details of the Drug

General Information of Drug (ID: DM4OAIU)

Drug Name
LMI070
Synonyms
branaplam; Branaplam; 1562338-42-4; NVS-SM1; UNII-P12R69543A; LMI-070; P12R69543A; 5-(1H-pyrazol-4-yl)-2-(6-((2,2,6,6-tetramethylpiperidin-4-yl)oxy)pyridazin-3-yl)phenol; Branaplam [INN]; SCHEMBL15475826; LMI070 (NVS-SM1); STWTUEAWRAIWJG-UHFFFAOYSA-N; BCP19909; ZINC146605125; AKOS030526592; CS-5319; HY-19620; Phenol, 5-(1H-pyrazol-4-yl)-2-(6-((2,2,6,6-tetramethyl-4-piperidinyl)oxy)-3-pyridazinyl)-
Indication
Disease Entry ICD 11 Status REF
Spinal muscular atrophy 8B61 Phase 3 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 393.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H27N5O2
IUPAC Name
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Canonical SMILES
CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C
InChI
InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
InChIKey
STWTUEAWRAIWJG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135565042
CAS Number
1562338-42-4
UNII
P12R69543A
DrugBank ID
DB14918
TTD ID
D0CE6C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Survival motor neuron protein (SMN1) TT8QL6X SMN_HUMAN Modulator [1]
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)