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Compound Detail

CHEMBL4177191

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O=C(O)c1cccc(-c2cn(-c3ccc(-n4ncc(CO)c4C(F)(F)F)cc3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4177191
Phase Preclinical
Structure Type MOL
InChI Key OSJIPZYYPKNEET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.33
ALogP
7
HBA
2
HBD
106.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3N5O3
MW 429.36
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
30347159 10.1021/acs.jmedchem.8b01512 Short transient receptor potential channel 1 & 3/Stromal interaction molecule 1/Calcium release-activated calcium channel protein 1 2
30347159 10.1021/acs.jmedchem.8b01512 Unchecked 1
30347159 10.1021/acs.jmedchem.8b01512 ADMET 1

Data from ChEMBL 36 via Core Engine