LITRONESIB

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Synonyms
Status
Molecule Category Free-form
UNII 6611F8KYCV

Structure

InChI Key YVAFBXLHPINSIK-QHCPKHFHSA-N
Smiles 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

Mechanism of Action Action Reference
Kinesin-like protein 1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 7-26 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 7-26 - - -

Cross References

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