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Compound Detail

CHEMBL2207795

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

Basic Information

ChEMBL ID CHEMBL2207795
Phase Preclinical
Structure Type MOL
InChI Key HYJJDZUNMLTIFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.31
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.61
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 C25H26N2O3
MW 402.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.80

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