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Compound Detail

CHEMBL139247

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COc1ccc2ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)N3CCC(C)CC3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139247
Phase Preclinical
Structure Type MOL
InChI Key FNWMWTHQRHOAKY-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
2.88
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N3O4S
MW 447.60
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
12238922 10.1021/jm011110z Prothrombin 1

Data from ChEMBL 36 via Core Engine