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Compound Detail

CHEMBL1963550

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O=C(CCO)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963550
Phase Preclinical
Structure Type MOL
InChI Key VEQYCEHJTJSHLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.9
MW (Da)
5.14
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClF3N5O3
MW 519.91
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine