Details of the Drug

General Information of Drug (ID: DM0ECUK)

Drug Name
LORNEIC ACID A
Synonyms Lorneic acid A; CHEMBL1079947
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 258.35
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H22O2
IUPAC Name
(E)-4-[2-[(E)-hex-1-enyl]-4-methylphenyl]but-3-enoic acid
Canonical SMILES
CCCC/C=C/C1=C(C=CC(=C1)C)/C=C/CC(=O)O
InChI
InChI=1S/C17H22O2/c1-3-4-5-6-8-16-13-14(2)11-12-15(16)9-7-10-17(18)19/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)/b8-6+,9-7+
InChIKey
BPISPUIKHXBPSU-CDJQDVQCSA-N
Cross-matching ID
PubChem CID
44605341
TTD ID
D0YZ0L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 5A (PDE5A) DTT PDE5A 1.60E-01 -0.25 -0.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Lorneic acids, trialkyl-substituted aromatic acids from a marine-derived actinomycete. J Nat Prod. 2009 Nov;72(11):2046-8.