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Compound Detail

CHEMBL4081583

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Cn1c(-c2ccc(CN3CCCC3)cc2)cc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081583
Phase Preclinical
Structure Type MOL
InChI Key MGEGPZBEEULWPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
6.73
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N2O2
MW 460.58
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
28655422 10.1016/j.bmcl.2017.06.039 dCTP pyrophosphatase 1 1

Data from ChEMBL 36 via Core Engine