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Compound Detail

CHEMBL3415159

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CC(C)c1nnc2n1-c1c(F)cc(-c3cccnc3)cc1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415159
Phase Preclinical
Structure Type MOL
InChI Key BDLQQCOEUSDGSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.69
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.72
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 C18H17FN4
MW 308.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
25711516 10.1021/acs.jmedchem.5b00079 Cytochrome P450 11B1, mitochondrial 1
25711516 10.1021/acs.jmedchem.5b00079 Cytochrome P450 11B2, mitochondrial 1
25711516 10.1021/acs.jmedchem.5b00079 Unchecked 1
25711516 10.1021/acs.jmedchem.5b00079 Aromatase 1
25711516 10.1021/acs.jmedchem.5b00079 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine