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Compound Detail

CHEMBL4564188

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C[C@]12CC[C@@H]3c4ccc(C(=O)O)cc4CC[C@H]3[C@@H]1CC=C2n1cnc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564188
Phase Preclinical
Structure Type MOL
InChI Key KXXGPGOXTOIWCV-YRKFHGTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
5.74
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O2
MW 398.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
27437082 10.1021/acsmedchemlett.6b00137 Androgen receptor 3
27437082 10.1021/acsmedchemlett.6b00137 Steroid 17-alpha-hydroxylase/17,20 lyase 1
27437082 10.1021/acsmedchemlett.6b00137 LNCaP 1
27437082 10.1021/acsmedchemlett.6b00137 CWR22R 1

Data from ChEMBL 36 via Core Engine