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Compound Detail

CHEMBL3956290

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CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1

Basic Information

ChEMBL ID CHEMBL3956290
Phase Preclinical
Structure Type MOL
InChI Key SXPBNCPKICHUFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1030.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H56Cl4N6O9S2
MW 1030.92

Pharmacokinetic Data

Parameter Value Units Species
AUC 2.0 ng.hr.mL-1 Rattus norvegicus
Cmax 1.94 nM Rattus norvegicus
Cmax 1.94 nM Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
35859876 10.1021/acsmedchemlett.2c00037 Unchecked 3
35859876 10.1021/acsmedchemlett.2c00037 Sodium/hydrogen exchanger 3 2
35859876 10.1021/acsmedchemlett.2c00037 ADMET 2

Data from ChEMBL 36 via Core Engine