BLEOMYCIN SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7DP3NTV15T
Parent Compound: BLEOMYCIN

Structure
InChI Key WUIABRMSWOKTOF-OYALTWQYSA-O
Smile Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O
InChI
InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C55H86N17O25S4+
Molecular Weight 1513.66
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 5.694
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.24-23.12

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hodgkin Disease 4 D006689 ClinicalTrials
Hodgkin Disease 4 D006689 ClinicalTrials
Lymphoma 4 D008223 ClinicalTrials
Testicular Neoplasms 3 D013736 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 3 D009373 ClinicalTrials
Testicular Neoplasms 3 D013736 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Teratoma 3 D013724 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 3 D009373 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Lymphoma, T-Cell, Peripheral 3 D016411 ClinicalTrials
Sarcoma, Kaposi 3 D012514 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Mediastinal Neoplasms 3 D008479 ClinicalTrials
Carcinoma, Embryonal 3 D018236 ClinicalTrials
Endodermal Sinus Tumor 3 D018240 ClinicalTrials
Choriocarcinoma 3 D002822 ClinicalTrials
Endodermal Sinus Tumor 3 D018240 ClinicalTrials
Lymphoma, AIDS-Related 2 D016483 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
13.56
Respiratory, thoracic and mediastinal disorders
13.14
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
9.19
General disorders and administration site conditions
8.26
Vascular disorders
8.12
Nervous system disorders
6.13
Infections and infestations
5.43
Injury, poisoning and procedural complications
5.11
Gastrointestinal disorders
4.69
Cardiac disorders
4.27
Skin and subcutaneous tissue disorders
4.22
Metabolism and nutrition disorders
2.32
Immune system disorders
2.18

Cross References

Resources Reference
ChEMBL CHEMBL3085504
EPA CompTox DTXSID60194353
FDA SRS 7DP3NTV15T
PubChem 71587153
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