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Compound Detail

CHEMBL5195080

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COc1ccc(S(=O)(=O)Nc2cnc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195080
Phase Preclinical
Structure Type MOL
InChI Key MMPNWIGFLRXXFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.0
MW (Da)
2.90
ALogP
7
HBA
1
HBD
104.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5O4S
MW 502.00
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.92

Pharmacokinetic Data

Parameter Value Units Species
CL 1.5 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
35594652 10.1016/j.ejmech.2022.114421 Trypanosoma cruzi 1
35594652 10.1016/j.ejmech.2022.114421 ADMET 1
35594652 10.1016/j.ejmech.2022.114421 No relevant target 1

Data from ChEMBL 36 via Core Engine