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Compound Detail

CHEMBL182845

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COc1cccc(CCn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182845
Phase Preclinical
Structure Type MOL
InChI Key QZHQPTPQLDIMDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
4.50
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N3O2
MW 419.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
15261268 10.1016/j.bmcl.2004.06.020 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine