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Compound Detail

CHEMBL1419625

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Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1

Basic Information

ChEMBL ID CHEMBL1419625
Phase Preclinical
Structure Type MOL
InChI Key LAHJISLNULJUEE-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.14
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2
MW 430.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.71

Activity Summary

IC50 4 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.08 5.045 8410.0 2
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 4.9 4.9 12500.0 1
Unchecked
CHEMBL612545
IC50 4.37 4.37 42700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine