Compound Detail

CHEMBL439318

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NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL439318
Phase	Preclinical
Structure Type	MOL
InChI Key	UCFZYFWHJHBZII-YYGRSCHNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

999.1

MW (Da)

-4.44

ALogP

HBA

HBD

399.5

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	C43H58N12O12S2
MW	999.14
Aromatic Rings	2
Heavy Atoms	69
NP-Likeness	0.25

Literature References

PubMed	DOI	Target Context	# Activities
17300166	10.1021/jm060928n	Rattus norvegicus	2
17300166	10.1021/jm060928n	Oxytocin receptor	1

Data from ChEMBL 36 via Core Engine