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Compound Detail

CHEMBL5220617

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C[C@H](N/C(=N\O)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220617
Phase Preclinical
Structure Type MOL
InChI Key DKWCZZOTVPDHHZ-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

555.4
MW (Da)
2.35
ALogP
11
HBA
4
HBD
168.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23BrN10O3
MW 555.40
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
35952367 10.1021/acs.jmedchem.2c00263 Indoleamine 2,3-dioxygenase 2 3
35952367 10.1021/acs.jmedchem.2c00263 Indoleamine 2,3-dioxygenase 1 2
35952367 10.1021/acs.jmedchem.2c00263 HeLa 1

Data from ChEMBL 36 via Core Engine