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Compound Detail

CHEMBL3677925

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O=C1N(c2ccc3ccccc3c2)CCN1c1cnccc1C1CC1

Basic Information

ChEMBL ID CHEMBL3677925
Phase Preclinical
Structure Type MOL
InChI Key CLXFWWUVAHRQGQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.56
ALogP
2
HBA
0
HBD
36.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O
MW 329.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroid 17-alpha-hydroxylase/17,20 lyase
CHEMBL3522
IC50 7.58 7.58 26.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine