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Compound Detail

CHEMBL5266300

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CC[C@@H](NC1C(=O)C(=O)C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266300
Phase Preclinical
Structure Type MOL
InChI Key GCFBWQBKWFEXOH-NVPAJSRCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.04
ALogP
7
HBA
3
HBD
111.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O5
MW 399.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.69

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28165741 10.1021/acs.jmedchem.6b01309 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine