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Compound Detail

CHEMBL3191445

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Cc1cc(C)nc(N/N=C/C2=C(O)CC(c3ccc(F)cc3)CC2=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3191445
Phase Preclinical
Structure Type MOL
InChI Key UWJSHNXLMLDXFZ-UFFVCSGVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.59
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN4O2
MW 354.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.8 4.8 15856.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 15856.0 nM 4.8 PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... -

Data from ChEMBL 36 via Core Engine