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Compound Detail

CHEMBL469410

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CC(C)C[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469410
Phase Preclinical
Structure Type MOL
InChI Key ZXMLGZPFSBKFTE-JKSUJKDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
2.08
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O2
MW 313.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
16124785 10.1021/np050141k Candida albicans 1
16124785 10.1021/np050141k CCRF-CEM 1
19637889 10.1021/np800745r C-C chemokine receptor type 2 1
19637889 10.1021/np800745r ADMET 1

Data from ChEMBL 36 via Core Engine