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Compound Detail

CHEMBL161614

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O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CCN1Cc1cc2c[nH]ccc-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL161614
Phase Preclinical
Structure Type MOL
InChI Key GQGBFSAXGHEULW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.0
MW (Da)
3.87
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClN4O3S
MW 480.98
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
12593648 10.1021/jm020384z Coagulation factor X 1

Data from ChEMBL 36 via Core Engine