Compound Detail

CHEMBL1182327

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O=[N+]([O-])c1ccc(C[N+]23CC[C@@H]4[C@@H]5[C@@H]6[C@@H](OCC=C(C2)[C@@H]6C[C@@H]43)N2c3ccccc3[C@@]34CC[N+]6(Cc7ccc([N+](=O)[O-])cc7)CC7=CCO[C@H]([C@@H]([C@H]23)[C@H]7C[C@@H]46)N5c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1182327
Phase	Preclinical
Structure Type	MOL
InChI Key	NJSFLPPGJOTCQD-YIGIZFADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

859.0

MW (Da)

7.88

ALogP

HBA

HBD

111.2

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H54N6O6+2
MW	859.04
Aromatic Rings	4
Heavy Atoms	64
NP-Likeness	0.84

Data from ChEMBL 36 via Core Engine