Details of the Drug
General Information of Drug (ID: DM5KNCX)
Drug Name |
N-cetylgallate
|
|||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Synonyms |
Cetyl gallate; 5026-65-3; Hexadecyl Gallate; Hexadecyl 3,4,5-trihydroxybenzoate; Gallic Acid Cetyl Ester; n-cetylgallate; n-Hexadecyl-gallate; UNII-X1J85N35ZO; CHEMBL464675; X1J85N35ZO; 3,4,5-Trihydroxybenzoic acid hexadecyl ester; Cetylgallat; HexadecylGallate; EINECS 225-715-7; ACMC-209kkz; AC1L2VUG; AC1Q67EH; Gallic Acid Hexadecyl Ester; SCHEMBL36506; Benzoic acid, 3,4,5-trihydroxy-, hexadecyl ester; CTK8B1762; DTXSID00198254; MolPort-006-116-598; TYCUSKFOGZNIBO-UHFFFAOYSA-N; KS-000013SR; BDBM50250973; ANW-30945; ZINC33861467
|
|||||||||||||||||||
Indication |
|
|||||||||||||||||||
Drug Type |
Small molecular drug
|
|||||||||||||||||||
Structure |
![]() |
|||||||||||||||||||
3D MOL | 2D MOL | |||||||||||||||||||
#Ro5 Violations (Lipinski): 2 | Molecular Weight (mw) | 394.5 | ||||||||||||||||||
Topological Polar Surface Area (xlogp) | 8 | |||||||||||||||||||
Rotatable Bond Count (rotbonds) | 17 | |||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 3 | |||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 5 | |||||||||||||||||||
Chemical Identifiers |
|
|||||||||||||||||||
Cross-matching ID | ||||||||||||||||||||
Molecular Interaction Atlas of This Drug
![]() Drug Therapeutic Target (DTT) |
|
||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Discovery agent | |||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ICD Disease Classification | N.A. | |||||||||||||||||||||||
|
||||||||||||||||||||||||
Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||
References