Bioactive Compound Details

BioIDbio14
NameGENTAMICIN SULFATE
ChEMBL IDCHEMBL3039594
Molecular FormulaC60H125N15O25S
Molecular Weight1488.81
Molecular Weight (Monoisotopic)1389.9018
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAPOGEN|BRISTAGEN|CIDOMYCIN|CIDOMYCIN INTRATHECAL|GARAMYCIN|GARASOL|GENOPTIC|GENT-AK|GENT-OPHTAL|GENTACIDIN|GENTACIN|GENTAFAIR|GENTAK|GENTALLINE|GENTALYN|GENTAMICIN (AS SULFATE)|GENTAMICIN (AS SULPHATE)|GENTAMICIN (GENTAMYCIN SULFATE)|GENTAMICIN C COMPLEX SULFATE|GENTAMICIN SULFATE|GENTAMICIN SULFATE (SALT)|GENTAMICIN SULPHATE|GENTAMICIN SULPHATE (SALT)|GENTAMICINI SULFAS|GENTIBIOPTAL|GENTICIN|GENTICIN INTRATHECAL|GENTOCIN|GENTOGRAM|LUGACIN|NSC-757042|NSC-82261|OPHTAGRAM|PANGRAM|REFOBACIN|SCH 9724|SCH-9724|SEPTOPAL|SULMYCIN|U-GENCIN
SmilesCNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O
InchiInChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-;/m110./s1
Inchi KeyRDEIXVOBVLKYNT-VQBXQJRRSA-N
Molecular SpeciesNone
Targets29.0
Bioactivities147.0
Np Likeness ScoreNone
Records Key['GENTAMICIN SULFATE', 'gentamycin sulfate', 'gentamicin', 'Gentamicin sulfate', 'gentamycin sulfate', 'gentamycin sulfate', 'Gentamycin sulphate', 'Gentamycin sulfate', 'gentamicin', 'Gentamicinsulphate', 'Gentamicin sulfate', 'GENTAMICIN SULFATE', 'Gentamycin sulfate', 'gentamicin sulfate', 'Gentamycin sulfate', 'Gentamicin sulfate', 'Gentamicin', 'Gentamycin sulfate', 'Gentamycin sulfate', 'Gentamicin', 'Gentamycin sulfate', 'GENTAMICIN SULFATE', 'GENTAMICIN SULFATE', 'GENTAMICIN SULFATE', 'Gentamicin sulfate']
Records Name['GENTAMICIN SULFATE', 'gentamycin sulfate', 'gentamicin sulfate', 'Gentamicin sulfate', 'gentamycin sulfate', 'gentamycin sulfate', 'Gentamycin sulphate', '(2S,3S,4S,5S)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((S)-1-(methylamino)ethyl)-tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2H-pyran-3,5-diol sulfate', 'gentamicin sulfate salt', 'Gentamicinsulphate', 'Gentamicin sulfate', 'GENTAMICIN SULFATE', 'Gentamycin sulfate', 'gentamicin sulfate', 'Gentamycin sulfate', 'Gentamicin sulfate', 'Gentamicin sulphate', 'Gentamycin sulfate', 'Gentamycin sulfate', 'Gentamicin sulfuric acid', 'Gentamycin sulfate', 'GENTAMICIN SULFATE', 'GENTAMICIN SULFATE', 'GENTAMICIN SULFATE', 'Gentamicin sulfate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure