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Compound Detail

CHEMBL543287

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C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCN=C(N)N)n(C)c2)n(C)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543287
Phase Preclinical
Structure Type MOL
InChI Key VEWKXJNLDCIVNV-UHFFFAOYSA-N
Parent Compound CHEMBL1192105
Active Moiety CHEMBL1192105
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.3
MW (Da)
0.47
ALogP
6
HBA
5
HBD
161.6
PSA (Ų)
0.16
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24BrClN8O3
MW 515.80
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
12031321 10.1016/s0960-894x(02)00177-4 L1210 1

Data from ChEMBL 36 via Core Engine