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Compound Detail

CHEMBL3414846

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CC[C@@H]1SC2(CCNCC2)N(CCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3414846
Phase Preclinical
Structure Type MOL
InChI Key JBIDDOUYYIZKIL-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

603.7
MW (Da)
5.24
ALogP
7
HBA
2
HBD
100.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34FN3O5S
MW 603.72
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
25478907 10.1021/jm500860w Muscarinic acetylcholine receptor M1 6

Data from ChEMBL 36 via Core Engine