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Compound Detail

CHEMBL1673319

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O=C(Nc1csc2ccccc12)NC1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673319
Phase Preclinical
Structure Type MOL
InChI Key XYDHIKMXACSFLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.19
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2OS
MW 308.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 ADMET 2
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1

Data from ChEMBL 36 via Core Engine