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Compound Detail

CHEMBL3559265

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C[N+]12CCCCC1(CCCC/N=c1/cc3n(-c4ccccc4)c4ccccc4nc-3cc1Nc1ccccc1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559265
Phase Preclinical
Structure Type MOL
InChI Key QXHBJNRVZJNIAT-SCURRHDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

570.8
MW (Da)
8.50
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H44N5+
MW 570.81
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine