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Compound Detail

CHEMBL1433302

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Cc1c(NC(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1433302
Phase Preclinical
Structure Type MOL
InChI Key BJGFIRBOTFDVSU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
6.16
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H28N4O4
MW 568.63
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness -1.34

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.28 6.28 530.0 1
Vero
CHEMBL391
 IC50 4.68 4.68 21100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 530.0 nM 6.28 PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... -
Vero IC50 = 21100.0 nM 4.68 PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... -

Data from ChEMBL 36 via Core Engine