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Compound Detail

CHEMBL1215595

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CCC(c1ccc(-c2ccc(OC)cc2)cc1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1215595
Phase Preclinical
Structure Type MOL
InChI Key SDMSAVTUYNKHPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
5.30
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO
MW 303.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
20684610 10.1021/jm100317b Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine