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Compound Detail

CHEMBL4633557

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CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL4633557
Phase Preclinical
Structure Type MOL
InChI Key AUOVZVGMTHSCGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
4.03
ALogP
7
HBA
0
HBD
70.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN6O
MW 410.91
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32407115 10.1021/acs.jmedchem.0c00226 ADMET 2
32407115 10.1021/acs.jmedchem.0c00226 Fusion glycoprotein F0 1
32407115 10.1021/acs.jmedchem.0c00226 HeLa 1

Data from ChEMBL 36 via Core Engine