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Compound Detail

CHEMBL1603946

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CCC(C)C1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1603946
Phase Preclinical
Structure Type MOL
InChI Key MHGNTTOFBOVPFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.29
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O
MW 294.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 4.6 4.6 24970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 24970.0 nM 4.6 PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... -

Data from ChEMBL 36 via Core Engine