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Compound Detail

CHEMBL243368

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CS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243368
Phase Preclinical
Structure Type MOL
InChI Key ZMYNVVVUBTZLSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
3.84
ALogP
4
HBA
2
HBD
107.6
PSA (Ų)
0.40
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 C25H27ClN4O3S
MW 499.04
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
17416533 10.1016/j.bmc.2007.03.066 Unchecked 2
17416533 10.1016/j.bmc.2007.03.066 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine