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Compound Detail

CHEMBL2207810

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O=C(NCc1cccs1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207810
Phase Preclinical
Structure Type MOL
InChI Key OPDBEZGUQKNXME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
6.60
ALogP
4
HBA
2
HBD
67.0
PSA (Ų)
0.30
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 C30H31N3O2S
MW 497.66
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.63

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