Compound Detail

CHEMBL4300726

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CCN(CC)c1ccc2c(-c3ccccc3C(=O)O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)OCc7ccccc7)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)c3ccc(=[N+](CC)CC)cc-3oc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4300726
Phase	Preclinical
Structure Type	MOL
InChI Key	VFIJHTPCSDLIQZ-FFTLAZQGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

972.4

MW (Da)

14.93

ALogP

HBA

HBD

72.0

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C65H83N2O5+
MW	972.39
Aromatic Rings	3
Heavy Atoms	72
NP-Likeness	1.36

Data from ChEMBL 36 via Core Engine