Compound Detail

CHEMBL412949

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CCCC[C@H](NC(=O)CNC)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL412949
Phase	Preclinical
Structure Type	BOTH
InChI Key	PPXXTXLCSJUDNC-JNYRXGABSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

973.2

MW (Da)

1.58

ALogP

HBA

HBD

284.4

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H72N10O10
MW	973.19
Aromatic Rings	3
Heavy Atoms	70
NP-Likeness	0.07

Literature References

PubMed	DOI	Target Context	# Activities
2455051	10.1021/jm00402a028	Rattus norvegicus	2

Data from ChEMBL 36 via Core Engine