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Compound Detail

CHEMBL496258

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CCC(c1ccc(-c2ccc(N(CC)CC)cc2)cc1)n1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496258
Phase Preclinical
Structure Type MOL
InChI Key AWCYVAOXOLOSIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
5.40
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3
MW 333.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
18674917 10.1016/j.bmc.2008.07.011 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine