Details of the Drug

General Information of Drug (ID: DM6EIZG)

Drug Name
BIM23A760
Synonyms
Lonapalene; LONAPALENE; RS-43179; 91431-42-4; UNII-WIF31Q54NJ; WIF31Q54NJ; CHEMBL36648; Lonapalenum; Lonapaleno; Lonapalenum [Latin]; Lonapaleno [Spanish]; Lonapalene (USAN); Lonapalene [USAN:INN]; RS 43179; 6-Chloro-2,3-dimethoxy-1,4-naphthalenediol diacetate; (4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate; AC1L1KN9; SCHEMBL120134; ZINC1630; DTXSID00238563; IFWMVQUGSGWCRP-UHFFFAOYSA-N; HY-U00156; BDBM50004677; CS-7197; ZB000377; D04770; 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene
Indication
Disease Entry ICD 11 Status REF
Acromegaly 5A60.0 Phase 2 [1], [2]
Carcinoid syndrome 5B10 Phase 2 [1], [2]
Psoriasis vulgaris EA90 Discontinued in Phase 3 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.74
Topological Polar Surface Area (xlogp) 3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H15ClO6
IUPAC Name
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
Canonical SMILES
CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC)OC
InChI
InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
InChIKey
IFWMVQUGSGWCRP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56237
CAS Number
91431-42-4
TTD ID
D04FNQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [4], [5]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acromegaly
ICD Disease Classification 5A60.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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