ID: ALA4439278

Max Phase: Preclinical

Molecular Formula: C16H9Cl4N3O2

Molecular Weight: 417.08

Molecule Type: Unknown

Associated Items:

Representations

Canonical SMILES:  NC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)ccc(Cl)c2c1=O

Standard InChI:  InChI=1S/C16H9Cl4N3O2/c17-6-1-4-10(9(20)5-6)22-16-12(15(21)25)14(24)11-7(18)2-3-8(19)13(11)23-16/h1-5H,(H2,21,25)(H2,22,23,24)

Standard InChI Key:  WSTLBEWBBCSETN-UHFFFAOYSA-N

Associated Targets(Human)

Protein lin-28 homolog A 23 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Endoribonuclease Dicer 19 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Protein lin-28 homolog B 3 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Heterogeneous nuclear ribonucleoprotein A1 8 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Protein lin-28 homolog A/B 29 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

JAR 316 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

PA-1 704 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

C2C12 756 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: 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

Properties

Molecular Weight: 417.08Molecular Weight (Monoisotopic): 414.9449AlogP: 4.98#Rotatable Bonds: 3
Polar Surface Area: 87.98Molecular Species: NEUTRALHBA: 3HBD: 3
#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): 0
CX Acidic pKa: 11.33CX Basic pKa: CX LogP: 4.72CX LogD: 4.72
Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.56Np Likeness Score: -0.93

References

1. Lim D, Byun WG, Park SB..  (2018)  Restoring Let-7 microRNA Biogenesis Using a Small-Molecule Inhibitor of the Protein-RNA Interaction.,  (12): [PMID:30613323] [10.1021/acsmedchemlett.8b00323]

Source