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Compound Detail

CHEMBL3093667

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O=C(c1csc(-c2ccncc2)n1)N1C[C@@H]2CNC[C@@H](C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093667
Phase Preclinical
Structure Type MOL
InChI Key DMRLWLJYFOZVKC-TXEJJXNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.89
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.92
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 C16H18N4OS
MW 314.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
24145137 10.1016/j.bmc.2013.09.060 Unchecked 2
24145137 10.1016/j.bmc.2013.09.060 Neuronal acetylcholine receptor subunit alpha-7 1
24145137 10.1016/j.bmc.2013.09.060 Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine