ONALESPIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: Q7Y33N57ZZ

Structure
InChI Key IFRGXKKQHBVPCQ-UHFFFAOYSA-N
Smile CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
InChI
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31N3O3
Molecular Weight 409.53
AlogP 3.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 67.25
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Heat shock protein HSP90 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 7-42
Other cytosolic protein
- 13-20 - - 100
Other membrane protein
- 22 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 1 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 912999-49-6
ChEBI 140592
ChEMBL CHEMBL1214827
DrugBank DB06306
EPA CompTox DTXSID80238485
FDA SRS Q7Y33N57ZZ
PDB XJX
PubChem 11955716
SureChEMBL SCHEMBL382780
ZINC ZINC000043208226
CONTENTS