TELAGLENASTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U6CL98GLP4

Structure
InChI Key PRAAPINBUWJLGA-UHFFFAOYSA-N
Smile O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
InChI
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24F3N7O3S
Molecular Weight 571.59
AlogP 4.55
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 131.88
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 2-2200 92 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Neurilemmoma 2 D009442 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Leukemia, Myelomonocytic, Chronic 1 D015477 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3639788
DrugBank DB15232
FDA SRS U6CL98GLP4
Guide to Pharmacology 9053
PDB 63J
PubChem 71577426
SureChEMBL SCHEMBL14987180
ZINC ZINC000169698697
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