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Compound Detail

CHEMBL5498776

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Nc1c(N2CC[N+]3(CCC[N+]4(CCNCC4)CC3)CC2)ncnc1N1CC[N+]2(CCC[N+]3(CCNCC3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498776
Phase Preclinical
Structure Type MOL
InChI Key SMEQKQBXVSOOTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

571.9
MW (Da)
-1.02
ALogP
7
HBA
3
HBD
82.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H57N11+4
MW 571.86
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine