Compound Detail

CHEMBL525414

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CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(N)=O)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL525414
Phase	Preclinical
Structure Type	MOL
InChI Key	PZXATWALBNXOQD-DJIKKJEWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

889.0

MW (Da)

4.61

ALogP

HBA

HBD

189.0

PSA (Å²)

0.14

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C47H58F2N6O9
MW	889.01
Aromatic Rings	3
Heavy Atoms	64
NP-Likeness	1.16

Literature References

PubMed	DOI	Target Context	# Activities
18653334	10.1016/j.bmcl.2008.07.025	A549	1

Data from ChEMBL 36 via Core Engine