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Compound Detail

CHEMBL407488

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COc1cc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407488
Phase Preclinical
Structure Type MOL
InChI Key ACWYBQUVCXTSSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
3.66
ALogP
5
HBA
2
HBD
86.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O4
MW 360.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.04 5.04 9200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 9200.0 nM 5.04 Antiproliferative activity against human Molt4/C8 cells 18260616

Literature References

PubMed DOI Target Context # Activities
18260616 10.1021/jm7011547 L1210 1
18260616 10.1021/jm7011547 FM3A 1
18260616 10.1021/jm7011547 CCRF-CEM 1
18260616 10.1021/jm7011547 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine