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Compound Detail

CHEMBL3115895

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N=C(N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](NCC(=O)O)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115895
Phase Preclinical
Structure Type MOL
InChI Key JDFYXQYIXHKWQW-GITCGBDTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

514.7
MW (Da)
1.47
ALogP
6
HBA
7
HBD
169.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42N6O4
MW 514.67
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
24418773 10.1016/j.bmcl.2013.12.094 Unchecked 1
24418773 10.1016/j.bmcl.2013.12.094 Prothrombin 1
24418773 10.1016/j.bmcl.2013.12.094 Vitamin K-dependent protein C 1

Data from ChEMBL 36 via Core Engine