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N,N'-(4-fluoro-1,2-phenylene)bis(4-methylbenzenesulfonamide)

ID: ALA4170052

Chembl Id: CHEMBL4170052

Cas Number: 113269-02-6

PubChem CID: 2800902

Max Phase: Preclinical

Molecular Formula: C20H19FN2O4S2

Molecular Weight: 434.51

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2ccc(C)cc2)cc1

Standard InChI: InChI=1S/C20H19FN2O4S2/c1-14-3-8-17(9-4-14)28(24,25)22-19-12-7-16(21)13-20(19)23-29(26,27)18-10-5-15(2)6-11-18/h3-13,22-23H,1-2H3

Standard InChI Key: AMACBYWWJKXPSU-UHFFFAOYSA-N

Parent:

ALA4170052
N-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

LIN28B Tbio Protein lin-28 homolog B (3 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DICER1 Tbio Endoribonuclease Dicer (19 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EIF4E Tchem Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1 (15 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lin28a Protein lin-28 homolog A (33 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 434.51	Molecular Weight (Monoisotopic): 434.0770	AlogP: 4.04	#Rotatable Bonds: 6
Polar Surface Area: 92.34	Molecular Species: NEUTRAL	HBA: 4	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 7.21	CX Basic pKa: ┄	CX LogP: 4.12	CX LogD: 3.65
Aromatic Rings: 3	Heavy Atoms: 29	QED Weighted: 0.61	Np Likeness Score: -1.37

1. Lorenz DA, Kaur T, Kerk SA, Gallagher EE, Sandoval J, Garner AL.. (2018) Expansion of cat-ELCCA for the Discovery of Small Molecule Inhibitors of the Pre-let-7-Lin28 RNA-Protein Interaction., 9 (6): [PMID:29937975] [10.1021/acsmedchemlett.8b00126]

Source(1):