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Compound Detail

CHEMBL526044

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COc1cc(F)c2ncc(C#N)c(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL526044
Phase Preclinical
Structure Type MOL
InChI Key HRHHXKIUYNVAEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.82
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN4O3
MW 476.55
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine