Details of the Drug

General Information of Drug (ID: DM7RGFW)

Drug Name
Lamectacin
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 625.9
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C26H19Cl3N2O6S2
IUPAC Name
(6R,7R)-3-[[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)COC4=C(C=CC(=C4)Cl)OC5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H19Cl3N2O6S2/c27-14-3-5-18(17(29)8-14)37-19-6-4-15(28)9-20(19)36-11-13-12-39-25-22(24(33)31(25)23(13)26(34)35)30-21(32)10-16-2-1-7-38-16/h1-9,22,25H,10-12H2,(H,30,32)(H,34,35)/t22-,25-/m1/s1
InChIKey
XKYWDADJBIQZBT-RCZVLFRGSA-N
Cross-matching ID
PubChem CID
9873954
TTD ID
D0Q6SD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bacterial infection
ICD Disease Classification 1A00-1C4Z
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015146)
2 Emerging drugs for bipolar disorder. Expert Opin Emerg Drugs. 2006 Nov;11(4):621-34.