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Compound Detail

CHEMBL1352969

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CC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1352969
Phase Preclinical
Structure Type MOL
InChI Key IYVAHKSWZJLZKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
4.06
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN4O
MW 328.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 5
CHEMBL1293249
 IC50 7.0 7.0 98.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Krueppel-like factor 5 IC50 = 98.83 nM 7.0 PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... -

Data from ChEMBL 36 via Core Engine