8-Quinolinecarboxaldehyde selenosemicarbazone

ID: ALA3934702

Chembl Id: CHEMBL3934702

PubChem CID: 134148759

Max Phase: Preclinical

Molecular Formula: C11H10N4Se

Molecular Weight: 277.19

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  NC(=[Se])N/N=C/c1cccc2cccnc12

Standard InChI:  InChI=1S/C11H10N4Se/c12-11(16)15-14-7-9-4-1-3-8-5-2-6-13-10(8)9/h1-7H,(H3,12,15,16)/b14-7+

Standard InChI Key:  KWINBLGXUUHQAO-VGOFMYFVSA-N

Alternative Forms

  1. Parent:

    ALA3934702

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Associated Targets(Human)

ASPC1 (1310 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-361 (612 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LS174T (446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 277.19Molecular Weight (Monoisotopic): 278.0071AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1.  (2016)  (8): [10.1039/C6MD00199H]
2. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M..  (2021)  Small molecule selenium-containing compounds: Recent development and therapeutic applications.,  223  [PMID:34217061] [10.1016/j.ejmech.2021.113621]

Source