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Compound Detail

CHEMBL4467021

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COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467021
Phase Preclinical
Structure Type MOL
InChI Key QOGIJRQZSGPQFJ-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.80
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N2O4
MW 426.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
31999451 10.1021/acs.jmedchem.9b01386 Indoleamine 2,3-dioxygenase 1 1
31999451 10.1021/acs.jmedchem.9b01386 HCT-116 1
31999451 10.1021/acs.jmedchem.9b01386 SK-OV-3 1
31999451 10.1021/acs.jmedchem.9b01386 A549 1
31999451 10.1021/acs.jmedchem.9b01386 HepG2 1

Data from ChEMBL 36 via Core Engine