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Compound Detail

CHEMBL264921

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COc1ccc(CCC[n+]2ccc(COC(c3ccccc3)c3ccccc3)cc2)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264921
Phase Preclinical
Structure Type MOL
InChI Key VRRHCYZPLXUVEK-UHFFFAOYSA-M
Parent Compound CHEMBL1182764
Active Moiety CHEMBL1182764
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.92
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30BrNO2
MW 504.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00163-7 T-cell line 1

Data from ChEMBL 36 via Core Engine