Structure

InChI Key TVTXCJFHQKSQQM-LJQIRTBHSA-N
Smile COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
InChI
InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H29Cl2F2N3O4
Molecular Weight 616.49
AlogP 6.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 111.45
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tumour suppressor p53/oncoprotein Mdm2 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other nuclear protein
- 6-6 0 - -
Transcription factor
- 9-10 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Polycythemia Vera 2 D011087 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1229705-06-9
ChEMBL CHEMBL2402737
DrugBank DB12325
FDA SRS QSQ883V35U
PubChem 53358942
SureChEMBL SCHEMBL442856
ZINC ZINC000096273105