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Compound Detail

CHEMBL4062656

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COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)NCCC(C)C)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062656
Phase Preclinical
Structure Type MOL
InChI Key GWWNERDQHKQIBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.03
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O4
MW 411.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
28610984 10.1016/j.bmcl.2017.06.018 Nicotinamide phosphoribosyltransferase 1
28610984 10.1016/j.bmcl.2017.06.018 PC-3 1

Data from ChEMBL 36 via Core Engine