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Compound Detail

CHEMBL2207803

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O=C(NCc1ccccc1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207803
Phase Preclinical
Structure Type MOL
InChI Key OUDFBFCLPJQNDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
6.54
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33N3O2
MW 491.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
23141914 10.1016/j.bmcl.2012.10.046 Diacylglycerol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine