Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q26B92650V

Structure

InChI Key ZLJZDYOBXVOTSA-XMMPIXPASA-N
Smile C[C@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
InChI
InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H33ClF3NO3
Molecular Weight 596.09
AlogP 8.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 49.77
Molecular species ZWITTERION
Aromatic Rings 4.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Reference
Lymphoma; Neoplasms Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL573677
DrugBank DB17146
FDA SRS Q26B92650V
PubChem 10218693
SureChEMBL SCHEMBL3976801
ZINC ZINC000049695241