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Compound Detail

CHEMBL311457

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C[C@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(OC(=O)CCC(=O)O)C(=O)CCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311457
Phase Preclinical
Structure Type MOL
InChI Key RYQHJJAIVWOEGT-NFVMQEMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

511.0
MW (Da)
3.56
ALogP
6
HBA
2
HBD
118.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32ClFO7
MW 510.99
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 1.87

Literature References

PubMed DOI Target Context # Activities
1875343 10.1021/jm00112a023 Mus musculus 1
1875343 10.1021/jm00112a023 Rattus norvegicus 1
1875343 10.1021/jm00112a023 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine