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Compound Detail

CHEMBL1673327

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COC(OC)c1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673327
Phase Preclinical
Structure Type MOL
InChI Key AASHFFLMTFAAAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

362.8
MW (Da)
3.87
ALogP
6
HBA
0
HBD
72.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O3S
MW 362.84
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1
20625148 10.1128/aac.00313-10 ADMET 1

Data from ChEMBL 36 via Core Engine