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Compound Detail

CHEMBL4127845

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Cn1ncc2cc(-c3ccc(C4=NC5(CC5)C(=O)N4C[C@@H]4CCCN(C(=O)C5CC5)C4)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127845
Phase Preclinical
Structure Type MOL
InChI Key OPAJYYBMMXLCET-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
4.01
ALogP
5
HBA
0
HBD
70.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O2
MW 481.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
29779975 10.1016/j.bmcl.2018.05.014 Fatty acid synthase 1

Data from ChEMBL 36 via Core Engine