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Compound Detail

CHEMBL2207802

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CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207802
Phase Preclinical
Structure Type MOL
InChI Key PJEPKDMURRJOBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

561.8
MW (Da)
9.11
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H43N3O2
MW 561.77
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.99

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