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Compound Detail

CHEMBL328360

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CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC#Cc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328360
Phase Preclinical
Structure Type MOL
InChI Key UMJYKEWBYJOMFK-PKTZIBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
2.68
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O4
MW 476.58
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
11133089 10.1016/s0960-894x(00)00579-5 Prothrombin 1

Data from ChEMBL 36 via Core Engine