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Compound Detail

CHEMBL1341517

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CCCn1ncc(CN2CCCC(C(=O)c3cccc(OC)c3)C2)c1C

Basic Information

ChEMBL ID CHEMBL1341517
Phase Preclinical
Structure Type MOL
InChI Key HSTRVJPGGIBHPU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.71
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N3O2
MW 355.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.82

Activity Summary

EC50 2 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.8 6.19 16.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine