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Compound Detail

CHEMBL3287872

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O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCN4c3nc4ccccc4o3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287872
Phase Preclinical
Structure Type MOL
InChI Key SIKGBQSGSOEPGB-MXVIHJGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
6.77
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.35
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 C29H28N2O4
MW 468.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
24900877 10.1021/ml400527n Diacylglycerol O-acyltransferase 1 2

Data from ChEMBL 36 via Core Engine