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Compound Detail

CHEMBL4793451

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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H](C)OC(=O)[C@H]1[C@@H]2C[C@H](F)[C@@](N)(C(=O)O)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793451
Phase Preclinical
Structure Type MOL
InChI Key IPAZEPBIOFZFEF-UZEWAWMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
2.88
ALogP
7
HBA
2
HBD
125.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32FNO7
MW 429.49
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.04

Literature References

PubMed DOI Target Context # Activities
32698110 10.1016/j.ejmech.2020.112521 Unchecked 29
32698110 10.1016/j.ejmech.2020.112521 Voltage-gated L-type calcium channel 3
32698110 10.1016/j.ejmech.2020.112521 Metabotropic glutamate receptor 3 3
32698110 10.1016/j.ejmech.2020.112521 Metabotropic glutamate receptor 2 2
32698110 10.1016/j.ejmech.2020.112521 ADMET 2
32698110 10.1016/j.ejmech.2020.112521 Adenosine receptor A3 1
32698110 10.1016/j.ejmech.2020.112521 Sodium-dependent serotonin transporter 1
32698110 10.1016/j.ejmech.2020.112521 B1 bradykinin receptor 1
32698110 10.1016/j.ejmech.2020.112521 No relevant target 1
32698110 10.1016/j.ejmech.2020.112521 Alpha-2B adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Adenosine receptor A2a 1
32698110 10.1016/j.ejmech.2020.112521 Adenosine receptor A1 1
32698110 10.1016/j.ejmech.2020.112521 Androgen receptor 1
32698110 10.1016/j.ejmech.2020.112521 Alpha-1A adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Alpha-1B adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Alpha-2A adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Alpha-2C adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Beta-1 adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Beta-2 adrenergic receptor 1
32698110 10.1016/j.ejmech.2020.112521 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine