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Compound Detail

CHEMBL1495574

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COc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3nc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1495574
Phase Preclinical
Structure Type MOL
InChI Key SXWMIGLTDPJSFQ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.04
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O2
MW 402.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.43

Activity Summary

EC50 1 meas. best 4.11
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
 EC50 4.11 4.11 78000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, germ cell type EC50 = 78000.0 nM 4.11 PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... -

Data from ChEMBL 36 via Core Engine