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Compound Detail

CHEMBL2023237

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C[C@]12Cc3cnn(CCC#N)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023237
Phase Preclinical
Structure Type MOL
InChI Key GLLFBSYASXJOPD-NKPHPHEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

588.8
MW (Da)
5.65
ALogP
9
HBA
2
HBD
112.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N4O3S2
MW 588.80
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
22465636 10.1016/j.bmcl.2012.03.015 Glucocorticoid receptor 5

Data from ChEMBL 36 via Core Engine