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Compound Detail

CHEMBL1182020

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C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182020
Phase Preclinical
Structure Type MOL
InChI Key ORKNVPSCDPJCEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.7
MW (Da)
5.53
ALogP
2
HBA
0
HBD
9.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N4+2
MW 454.66
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine