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Compound Detail

CHEMBL3908646

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CC(C)COC(=O)/N=C(\N)c1ccc(CC2c3nc4cc(C5(C(=O)N6CCCC6)CCCC5)ccc4n3CCN2C(=O)OCC(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3908646
Phase Preclinical
Structure Type MOL
InChI Key SPPPFIZBKGKIJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

670.9
MW (Da)
6.36
ALogP
7
HBA
1
HBD
132.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H50N6O5
MW 670.86
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
27884512 10.1016/j.bmc.2016.11.012 Thrombin 1

Data from ChEMBL 36 via Core Engine