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Compound Detail

CHEMBL4570098

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Cc1nccn1-c1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4570098
Phase Preclinical
Structure Type MOL
InChI Key PDOVVVXGESUKQF-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
1.88
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N2O2
MW 202.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.32

Activity Summary

EC50 2 meas. best 5.2
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H2171
CHEMBL2366213
 EC50 5.2 5.2 6270.0 1
MM1.S
CHEMBL4296471
 EC50 4.94 4.94 11500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H2171 EC50 = 6270.0 nM 5.2 Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... -
MM1.S EC50 = 11500.0 nM 4.94 Cytotoxic activity against human MM1S cells assessed as reduction in cell viabil... -

Data from ChEMBL 36 via Core Engine