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Compound Detail

CHEMBL4567684

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O=C1C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Br)c2)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567684
Phase Preclinical
Structure Type MOL
InChI Key PNPMUTACGLFLNC-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

493.3
MW (Da)
4.69
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18BrFN2O3
MW 493.33
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.57

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