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Compound Detail

CHEMBL330493

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N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)c(Cl)cc4c3)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330493
Phase Preclinical
Structure Type MOL
InChI Key FFYPRGNZWNKJFT-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
3.51
ALogP
4
HBA
3
HBD
116.3
PSA (Ų)
0.36
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 C22H20Cl2N4O3S
MW 491.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.21

Literature References

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

Data from ChEMBL 36 via Core Engine