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Compound Detail

CHEMBL1651512

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c1ccc(C(CCn2cnc3ccccc32)(c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651512
Phase Preclinical
Structure Type MOL
InChI Key YPKHUCFDKLABLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
6.46
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N2
MW 388.51
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.65

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