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Compound Detail

CHEMBL4300181

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COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300181
Phase Preclinical
Structure Type MOL
InChI Key GTABCRSFTCTJJI-HEYILEOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
5.57
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27FN2O4
MW 462.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine