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Compound Detail

CHEMBL150718

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CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C\c3ccc(C(=N)N(C)C)cc3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150718
Phase Preclinical
Structure Type MOL
InChI Key ACQPTINNLFSDRI-AASGQRNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.07
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O
MW 428.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
10639283 10.1021/jm990456v Coagulation factor X 1
10639283 10.1021/jm990456v Prothrombin 1
10639283 10.1021/jm990456v Serine protease 1 1

Data from ChEMBL 36 via Core Engine