General Information of the Compound
Compound ID
CP0572656
Compound Name
Branaplam
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Synonyms
1562338-42-4
5-(1H-pyrazol-4-yl)-2-(6-((2,2,6,6-tetramethylpiperidin-4-yl)oxy)pyridazin-3-yl)phenol
AKOS030526592
BCP19909
Branaplam
Branaplam [INN]
CS-5319
HY-19620
LMI-070
LMI070
LMI070 (NVS-SM1)
NVS-SM1
P12R69543A
Phenol, 5-(1H-pyrazol-4-yl)-2-(6-((2,2,6,6-tetramethyl-4-piperidinyl)oxy)-3-pyridazinyl)-
SCHEMBL15475826
STWTUEAWRAIWJG-UHFFFAOYSA-N
UNII-P12R69543A
ZINC146605125
branaplam
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Structure
Formula
C22H27N5O2
Molecular Weight
393.491
Canonical SMILES
CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1
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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)
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InChIKey
STWTUEAWRAIWJG-UHFFFAOYSA-N
CAS
1562338-42-4
Physicochemical Property
logP
3.9273
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
95.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135565042
ChEMBL ID
CHEMBL4290141
DrugBank ID
DB14918
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LMI070 )
Drug Name LMI070
Company Novartis Pharmaceuticals East Hanover, NJ
Indication
Spinal muscular atrophy
Phase 3
Target(s)
Survival motor neuron protein (SMN1)
 Target Info 
Modulator