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Compound Detail

CHEMBL1906688

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CN1Cc2cnnn2-c2ccccc2C1C#N

Basic Information

ChEMBL ID CHEMBL1906688
Phase Preclinical
Structure Type MOL
InChI Key LIFJDNKQUFWWDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.28
ALogP
5
HBA
0
HBD
57.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5
MW 225.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.01

Activity Summary

EC50 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.59 4.59 25700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 25700.0 nM 4.59 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine