Compound Detail

CHEMBL1195118

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CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc([N+](=O)[O-])cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1195118
Phase	Preclinical
Structure Type	MOL
InChI Key	NFIGDKGIHHMVDO-RYKMDJAISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

913.1

MW (Da)

5.96

ALogP

HBA

HBD

179.8

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	C52H60N6O9
MW	913.08
Aromatic Rings	4
Heavy Atoms	67
NP-Likeness	0.94

Data from ChEMBL 36 via Core Engine