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Compound Detail

CHEMBL409521

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Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4c(Cl)cccc4c3)CC2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409521
Phase Preclinical
Structure Type MOL
InChI Key AUNSRHSCCOMHQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.0
MW (Da)
4.49
ALogP
5
HBA
0
HBD
70.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28ClN3O3S
MW 486.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
18077174 10.1016/j.bmc.2007.11.073 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine