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Compound Detail

CHEMBL4520316

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C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4520316
Phase Preclinical
Structure Type MOL
InChI Key SPEDTVSELPTCNP-HKGZJRCASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
6.62
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2
MW 370.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
27437082 10.1021/acsmedchemlett.6b00137 Androgen receptor 1
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