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Compound Detail

CHEMBL5436795

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Cn1ncc2c(NC3CC4(CCC4)C3)nc(NC[C@H](N)c3ccccc3)nc21

Basic Information

ChEMBL ID CHEMBL5436795
Phase Preclinical
Structure Type MOL
InChI Key XACDDEYCSUEXJM-KRWDZBQOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
3.22
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N7
MW 377.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA 5'-monophosphate methyltransferase
CHEMBL3588740
IC50 8.1 7.935 8.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine