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Compound Detail

CHEMBL5498780

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Cc1nc(N2CC[N+]3(CC2)CC[N+]2(CCNCC2)CC3)c(N)c(N2CC[N+]3(CC2)CC[N+]2(CCNCC2)CC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498780
Phase Preclinical
Structure Type MOL
InChI Key KFIMYXOOZPVUOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.8
MW (Da)
-1.49
ALogP
7
HBA
3
HBD
82.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H55N11+4
MW 557.84
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine