Compound Detail

CHEMBL3736531

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CCC1=C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc(Cl)cc3)(C1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3736531
Phase	Preclinical
Structure Type	MOL
InChI Key	FJZOODOZFZFYLW-CFUXEFBXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

972.6

MW (Da)

7.25

ALogP

HBA

HBD

147.7

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C56H64ClN4O9+
MW	972.60
Aromatic Rings	4
Heavy Atoms	70
NP-Likeness	1.30

Data from ChEMBL 36 via Core Engine