Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D4VBY6
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| Drug Name |
Bafilomycin A1
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| Synonyms |
bafilomycin A1; 88899-55-2; MFCD06795130; CHEMBL290814; CHEBI:22689; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one; Bafilomycin; NSC381866; Bafilomycin A1/; Hygrolidin, 21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-; Bafilomycin A1 from Streptomyces griseus; BSPBio_001470; MEGxm0_000385; SCHEMBL13775181; ACon0_000813; HMS3402J12; Bafilomycin A1 Ready Made Solution; ABP000610; BDBM50064186; AKOS030213158; ZINC169647947; DB06733; MCULE-2359469972; NCGC00163426-02; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one; Q4841341; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
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| Drug Type |
Small molecular drug
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| Indication | B-cell acute lymphoblastic leukaemia [ICD-11: 2B33.3; ICD-10: C91, C91.9] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C35H58O9
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| Canonical SMILES |
CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C
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| InChI |
1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1
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| InChIKey |
XDHNQDDQEHDUTM-JQWOJBOSSA-N
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| CAS Number |
CAS 88899-55-2
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:22689
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vacuolar-type proton ATPase (v-ATPase) | Target Info | Inhibitor | [2] |
| References | Top | |||
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| REF 1 | Bafilomycin A1 targets both autophagy and apoptosis pathways in pediatric B-cell acute lymphoblastic leukemia. Haematologica. 2015 Mar;100(3):345-56. | |||
| REF 2 | Molecular basis of V-ATPase inhibition by bafilomycin A1. Nat Commun. 2021 Mar 19;12(1):1782. | |||
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