Details of the Drug

General Information of Drug (ID: DMGPIV0)

Drug Name

STA-5312

Synonyms

2-[3-(4-Cyanobenzyl)indolizin-1-yl]-N-(3-methylisothiazol-5-yl)-2-oxoacetamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

400.5

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H16N4O2S
IUPAC Name: 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
Canonical SMILES: CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#N
InChI: InChI=1S/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
InChIKey: IZZYUABKZYIINT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00276913) A Phase I Study of STA-5312 in Subjects With Advanced or Metastatic Solid Tumors. U.S. National Institutes of Health.
2	Conjugated indole-imidazole derivatives displaying cytotoxicity against multidrug resistant cancer cell lines. Bioorganic & Medicinal Chemistry Letters. 11/2006; 16(19):5164-8.