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Compound Detail

CHEMBL4169352

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O=C(O)c1cccc(-c2cn(-c3ccc(-n4ncc(C(=O)OCCN5CCOCC5)c4C(F)(F)F)cc3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169352
Phase Preclinical
Structure Type MOL
InChI Key IAPNKRRSACYKHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
3.33
ALogP
10
HBA
1
HBD
124.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F3N6O5
MW 556.50
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.85

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