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Compound Detail

CHEMBL5404773

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Cn1ncc2c(NC3CC(C)(C)C3)nc(NC[C@H](N)c3ccccc3)nc21

Basic Information

ChEMBL ID CHEMBL5404773
Phase Preclinical
Structure Type MOL
InChI Key HCYKOBCSQYXSTE-INIZCTEOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
3.08
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N7
MW 365.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.13

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA 5'-monophosphate methyltransferase
CHEMBL3588740
IC50 7.85 7.755 14.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine