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Compound Detail

CHEMBL3963609

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O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3963609
Phase Preclinical
Structure Type MOL
InChI Key DIHFFQLBROFOJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.03
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.49
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 C25H25N7O
MW 439.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
27876319 10.1016/j.bmcl.2016.11.012 Protein-serine O-palmitoleoyltransferase porcupine 1

Data from ChEMBL 36 via Core Engine