Compound Detail

CHEMBL1229251

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C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CC(=O)N[C@H]2[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)(C(=O)O)C[C@@H]2O)nn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1229251
Phase	Preclinical
Structure Type	MOL
InChI Key	ROOREYATXGMFPR-YEISCEEWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

951.9

MW (Da)

-2.55

ALogP

HBA

HBD

394.1

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C40H54N7O18P
MW	951.88
Aromatic Rings	3
Heavy Atoms	66
NP-Likeness	1.19

Data from ChEMBL 36 via Core Engine