Details of the Drug

General Information of Drug (ID: DM62E7C)

Drug Name
CPL-7075
Synonyms
Ajulemic acid; Lenabasum; IP-751; CT-3; 137945-48-3; IP 751; UNII-OGN7X90BT8; CPL7075; JBT-101; OGN7X90BT8; Resunab; (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid; (6ar,10ar)-3-(1,1-Dimethylheptyl)-1-Hydroxy-6,6-Dimethyl-6a,7,10,10a-Tetrahydro-6h-Benzo[c]chromene-9-Carboxylic Acid; DMH-THC-11-OIC; AB-III-56; CT 3; CPL 7075; Lenabasum [USAN]; HU-239; AC1MJ0SY; SCHEMBL26441; CHEMBL456341; GTPL9772; IP751; Mixed CB agonist/sodim channel blocker (pain), Cervelo
Indication
Disease Entry ICD 11 Status REF
Diffuse systemic sclerosis 4A42.1 Phase 3 [1]
Cystic fibrosis CA25 Phase 2 [2]
Rheumatoid arthritis FA20 Phase 2 [3]
Systemic lupus erythematosus 4A40.0 Phase 2 [3]
Systemic sclerosis 4A42 Phase 2 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 400.5
Logarithm of the Partition Coefficient (xlogp) 7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H36O4
IUPAC Name
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Canonical SMILES
CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O
InChI
InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
InChIKey
YCHYFHOSGQABSW-RTBURBONSA-N
Cross-matching ID
PubChem CID
3083542
ChEBI ID
CHEMBL456341
CAS Number
137945-48-3
UNII
OGN7X90BT8
DrugBank ID
DB12193
TTD ID
D08DGC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tumor necrosis factor (TNF) TTF8CQI TNFA_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diffuse systemic sclerosis
ICD Disease Classification 4A42.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tumor necrosis factor (TNF) DTT TNF 1.66E-01 -0.14 -0.65
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03398837) Trial to Evaluate Efficacy and Safety of Lenabasum in Diffuse Cutaneous Systemic Sclerosis (RESOLVE-1). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.