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Compound Detail

CHEMBL2312425

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CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312425
Phase Preclinical
Structure Type MOL
InChI Key PQTHUCPKVQBITG-RCCKNPSSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
5.39
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O4
MW 500.60
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
23167654 10.1021/jm300844m Unchecked 1

Data from ChEMBL 36 via Core Engine