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Compound Detail

CHEMBL1651500

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Cc1c(C)c(C)c(Cn2cnc3ccccc32)c(C)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651500
Phase Preclinical
Structure Type MOL
InChI Key VEOLVSURHXTYPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.63
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2
MW 278.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.02

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