Compound Detail

CHEMBL3558555

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CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3558555
Phase	Preclinical
Structure Type	MOL
InChI Key	TYILJYSZTFNDDP-UTTCWRBNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

845.1

MW (Da)

8.51

ALogP

HBA

HBD

113.0

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H56N6O5+2
MW	845.06
Aromatic Rings	4
Heavy Atoms	63
NP-Likeness	0.61

Data from ChEMBL 36 via Core Engine