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Compound Detail

CHEMBL184221

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O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1-c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184221
Phase Preclinical
Structure Type MOL
InChI Key IIDBSGZMVFORSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

663.6
MW (Da)
6.90
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H33F3N3O5P
MW 663.63
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
15380200 10.1016/j.bmcl.2004.07.069 Microsomal triglyceride transfer protein large subunit 1
15380200 10.1016/j.bmcl.2004.07.069 HepG2 1
15380200 10.1016/j.bmcl.2004.07.069 Cricetinae gen. sp. 1

Data from ChEMBL 36 via Core Engine