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Compound Detail

CHEMBL206583

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CCCCCCCCCCCC1N=C(N)N=C(N)N1c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206583
Phase Preclinical
Structure Type MOL
InChI Key FPOQVODWSVXDGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
5.15
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32BrN5
MW 422.42
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
16509582 10.1021/jm051033y Unchecked 1

Data from ChEMBL 36 via Core Engine