Compound Detail

CHEMBL1195117

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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)c5ccccc5)[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	CHEMBL1195117
Phase	Preclinical
Structure Type	MOL
InChI Key	UQUVSXZFPRVCFQ-TXUJHORSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

868.1

MW (Da)

6.05

ALogP

HBA

HBD

136.7

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H61N5O7
MW	868.09
Aromatic Rings	4
Heavy Atoms	64
NP-Likeness	1.16

Data from ChEMBL 36 via Core Engine