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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)