Bioactive Compound Details

BioIDbio9
NameMITOMYCIN A
ChEMBL IDCHEMBL298359
Molecular FormulaC16H19N3O6
Molecular Weight349.34
Molecular Weight (Monoisotopic)349.1274
TypeSmall molecule
Max PhasePhase 3
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms6-METHOXY ANALOG OF MITOMYCIN C|MITOMYCIN A|NSC-75986
SmilesCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21
InchiInChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
Inchi KeyHYFMSAFINFJTFH-NGSRAFSJSA-N
Molecular SpeciesNEUTRAL
Targets24.0
Bioactivities103.0
Np Likeness Score2.3
Records Key['1 (Mytomycin A)', 'mitomycin A', '6', 'mitomycin A', '28', '16', 'mit A', '3 (mitomycin A)', 'Mitomycin A', '20', '1, Mitomycin A', '2', '2 (MMA)', 'MITOMYCIN A']
Records Name[6,8a-dimethoxy-5-methyl-4,7-dioxo-(8aR)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ylmethyl 1-aminoacetate (Mytomycin A)", 'Mitomycin A', 'Nucleoside derivative of mitosene', 'mitomycin A', 'Mitomycin A', 'Mitomycin A', "(Mitomycin A)6,8a-dimethoxy-5-methyl-4,7-dioxo-(8aR)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ylmethyloxy amide", "3-[6,8a-dimethoxy-5-methyl-4,7-dioxo-(1aR,8bR)-2H,4H,7H,8H,8aH-azireno[3',2':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate", "2-[6,8a-dimethoxy-5-methyl-4,7-dioxo-(1aS,8R,8aR,8bS)-2H,4H,7H,8H,8aH-azireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]acetamide", "6,8a-dimethoxy-5-methyl-4,7-dioxo-(8aR)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ylmethyl oxycarbamoyl", 'Mitomycin A', 'Mitomycin A', "6,8a-dimethoxy-5-methyl-(1aS,8aR,8bS)-2H,4H,7H,8H,8aH-azireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione.8aminoester (Mitomycin A)", 'MITOMYCIN A']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure