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Compound Detail

CHEMBL327560

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CCOc1ccc2cc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327560
Phase Preclinical
Structure Type MOL
InChI Key SFQMAWFBVWSKSI-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
2.00
ALogP
6
HBA
3
HBD
138.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5O4S
MW 467.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
10509929 10.1016/s0960-894x(99)00466-7 Coagulation factor X 1
10509929 10.1016/s0960-894x(99)00466-7 Prothrombin 1
10509929 10.1016/s0960-894x(99)00466-7 Serine protease 1 1

Data from ChEMBL 36 via Core Engine