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Compound Detail

CHEMBL4527796

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O=C(N/N=C/c1ccc2c(ccc[n+]2Cc2ccccc2)c1)c1cc(C(=O)N/N=C/c2ccc3c(ccc[n+]3Cc3ccccc3)c2)ncn1.[Br-].[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527796
Phase Preclinical
Structure Type MOL
InChI Key KNVLVPLAVYWRKE-KAJMIBDDSA-N
Parent Compound CHEMBL4595224
Active Moiety CHEMBL4595224
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

656.8
MW (Da)
4.98
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H32Br2N8O2
MW 816.56
Aromatic Rings 7
Heavy Atoms 50
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
31173968 10.1016/j.ejmech.2019.05.042 Unchecked 3
31173968 10.1016/j.ejmech.2019.05.042 NCI-H1299 2

Data from ChEMBL 36 via Core Engine