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Compound Detail

CHEMBL4117455

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CCN(CC)CCNC(=O)COc1ccc2oc3c(NCCN(CC)CC)c4ccccc4[n+](C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117455
Phase Preclinical
Structure Type MOL
InChI Key OPUPVZOFEGBCOC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
4.15
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N5O3+
MW 520.70
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine