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Compound Detail

CHEMBL1497135

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COc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1497135
Phase Preclinical
Structure Type MOL
InChI Key CLTSQCRWIYLINC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.30
ALogP
7
HBA
1
HBD
90.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3
MW 403.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.45 4.45 35598.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 35598.0 nM 4.45 PubChem BioAssay. Dose response counterscreen for inhibitors of viability of lat... -

Data from ChEMBL 36 via Core Engine