LUMINESPIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C6V1DAR5EB

Structure
InChI Key NDAZATDQFDPQBD-UHFFFAOYSA-N
Smile CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChI
InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31N3O5
Molecular Weight 465.55
AlogP 4.13
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 108.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Heat shock protein HSP90 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 23
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 46
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 30
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 12
Enzyme Kinase Protein Kinase
- 7300 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 13
Other cytosolic protein
7 8-43000 2 0-8 -
Other membrane protein
- 12 - 4 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Stromal Tumors 2 D046152 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Adenocarcinoma of Lung 1 D000077192 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials

Cross References

Resources Reference
ChEBI 83656
ChEMBL CHEMBL252164
FDA SRS C6V1DAR5EB
Guide to Pharmacology 9261
PDB 2GJ
PubChem 135539077
SureChEMBL SCHEMBL892205
ZINC ZINC000100015656
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