LITRONESIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6611F8KYCV

Structure
InChI Key YVAFBXLHPINSIK-QHCPKHFHSA-N
Smile CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C
InChI
InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H37N5O4S2
Molecular Weight 511.71
AlogP 2.42
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 119.97
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Kinesin-like protein 1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 8.815
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -35.01--8.06
Other cytosolic protein
- 7-26 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 2 D015179 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105661
DrugBank DB11861
FDA SRS 6611F8KYCV
PubChem 25167017
SureChEMBL SCHEMBL368284
ZINC ZINC000056898863
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