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Compound Detail

CHEMBL2022860

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Cn1ncc2c1C=C1CC[C@@H]3[C@H]([C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CSc3nc4ccccc4s3)[C@@]1(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2022860
Phase Preclinical
Structure Type MOL
InChI Key BYBMVARJNBIKCK-CHCXZMJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

549.8
MW (Da)
5.28
ALogP
8
HBA
2
HBD
88.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O3S2
MW 549.76
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.19

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