TANESPIMYCIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4GY0AVT3L4

Structure
InChI Key AYUNIORJHRXIBJ-TXHRRWQRSA-N
Smile C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
InChI
InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H43N3O8
Molecular Weight 585.7
AlogP 2.54
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 166.28
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Heat shock protein HSP90 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- 1000-5000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 1000-5000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 31 - - -
Other cytosolic protein
19-119 3-50000 160-900 5-29 53-107
Other membrane protein
124 31 - - -
Unclassified protein
- 20100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 3 D009101 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Lymphoma, Large-Cell, Anaplastic 2 D017728 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Medullary 2 D018276 ClinicalTrials
Thyroid Neoplasms 2 D013964 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Lymphoma, B-Cell, Marginal Zone 1 D018442 ClinicalTrials
Waldenstrom Macroglobulinemia 1 D008258 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Prolymphocytic 1 D015463 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials
Leukemia-Lymphoma, Adult T-Cell 1 D015459 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Immunoblastic Lymphadenopathy 1 D007119 ClinicalTrials
Burkitt Lymphoma 1 D002051 ClinicalTrials
Chondrosarcoma 1 D002813 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials
Osteosarcoma 1 D012516 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Sezary Syndrome 1 D012751 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials
Lymphoma, AIDS-Related 1 D016483 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 75747-14-7
ChEBI 64153
ChEMBL CHEMBL109480
DrugBank DB05134
EPA CompTox DTXSID5046352
FDA SRS 4GY0AVT3L4
Guide to Pharmacology 7751
PubChem 6505803
SureChEMBL SCHEMBL2604976
ZINC ZINC000100014666
CONTENTS