Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 24DSZ1VN92

Structure

InChI Key PGXYIBJJCLWJST-MUUNZHRXSA-N
Smile Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1
InChI
InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H33ClN2O3
Molecular Weight 517.07
AlogP 6.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 76.54
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1600 - - -
Other cytosolic protein
- 0-607 543-30035 1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hodgkin Disease 1 D006689 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2325429
FDA SRS 24DSZ1VN92
PDB 6LX
PubChem 9936388
SureChEMBL SCHEMBL645543
ZINC ZINC000034039290