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Compound Detail

CHEMBL393671

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CN1CCc2nc(C(=O)N[C@@H]3CCC[C@H]3NS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393671
Phase Preclinical
Structure Type MOL
InChI Key LXQDFECNULDWHX-HZPDHXFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.0
MW (Da)
2.90
ALogP
6
HBA
3
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN5O3S2
MW 494.04
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
17555959 10.1016/j.bmcl.2007.05.068 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine