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Compound Detail

CHEMBL241910

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CS(=O)(=O)N1CCC(N(Cc2ccc3ccc(C(=N)N)cc3c2)S(C)(=O)=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241910
Phase Preclinical
Structure Type MOL
InChI Key NNBMGBNZCANHPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
1.31
ALogP
5
HBA
2
HBD
124.6
PSA (Ų)
0.52
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 C19H26N4O4S2
MW 438.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.26

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