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]
Carcinoid syndrome 5B10 Phase 2 [1]
Psoriasis vulgaris EA90 Discontinued in Phase 3 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.74
Logarithm of the Partition Coefficient (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
ChEBI ID
CHEMBL36648
CAS Number
91431-42-4
TTD ID
D04FNQ
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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 [3]
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

1 BIM-23A760, a chimeric molecule directed towards somatostatin and dopamine receptors, vs universal somatostatin receptors ligands in GH-secreting pituitary adenomas partial responders to octreotide. J Endocrinol Invest. 2005;28(11 Suppl International):21-7.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003802)
3 Preview of potential therapeutic applications of leukotriene B4 inhibitors in dermatology. Skin Pharmacol Appl Skin Physiol. 2000 Sep-Oct;13(5):235-45.