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Compound Detail

CHEMBL270324

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Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3cc4cc(Cl)ccc4s3)CC2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270324
Phase Preclinical
Structure Type MOL
InChI Key SMXHRHPHHDAQNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.1
MW (Da)
4.55
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.51
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 C23H26ClN3O3S2
MW 492.07
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
18077174 10.1016/j.bmc.2007.11.073 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine