DAUNORUBICIN HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UD984I04LZ

Structure
InChI Key GUGHGUXZJWAIAS-QQYBVWGSSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl
InChI
InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30ClNO10
Molecular Weight 563.99
AlogP 1.03
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 185.84
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor Wikipedia DailyMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Myelodysplastic Syndromes 3 D009190 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Leukemia, Monocytic, Acute 3 D007948 ClinicalTrials
Leukemia, Myelomonocytic, Acute 3 D015479 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
Lymphoma 3 D008223 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Leukemia, Megakaryoblastic, Acute 3 D007947 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Leukemia, Basophilic, Acute 3 D015471 ClinicalTrials
Myeloproliferative Disorders 3 D009196 ClinicalTrials
Sarcoma, Myeloid 3 D023981 ClinicalTrials
Leukemia, Promyelocytic, Acute 3 D015473 ClinicalTrials
Leukemia, Biphenotypic, Acute 3 D015456 ClinicalTrials
Leukemia, Erythroblastic, Acute 3 D004915 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Anemia, Refractory 3 D000753 ClinicalTrials
Anemia, Refractory, with Excess of Blasts 3 D000754 ClinicalTrials
Leukemia, Myelomonocytic, Chronic 3 D015477 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma 3 D054218 ClinicalTrials
Leukemia, Biphenotypic, Acute 3 D015456 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31456
ChEMBL CHEMBL1563
EPA CompTox DTXSID0033382
FDA SRS UD984I04LZ
SureChEMBL SCHEMBL4444
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