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Compound Detail

CHEMBL1651510

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c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651510
Phase Preclinical
Structure Type MOL
InChI Key KCENPJPWSWRZLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
5.88
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2
MW 360.46
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
24900247 10.1021/ml100071j Cytochrome P450 11B1, mitochondrial 1
24900247 10.1021/ml100071j Cytochrome P450 11B2, mitochondrial 1
24900247 10.1021/ml100071j Steroid 17-alpha-hydroxylase/17,20 lyase 1
24900247 10.1021/ml100071j Aromatase 1

Data from ChEMBL 36 via Core Engine