Compound Detail

CHEMBL439699

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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(OS(=O)(=O)O)cc2)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL439699
Phase	Preclinical
Structure Type	BOTH
InChI Key	GETLOJSTWXWZRI-DPCRESECSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

991.0

MW (Da)

-2.10

ALogP

HBA

HBD

389.5

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	C45H54N10O14S
MW	991.05
Aromatic Rings	4
Heavy Atoms	70
NP-Likeness	0.47

Literature References

PubMed	DOI	Target Context	# Activities
2438407	10.1021/jm00389a002	Cavia porcellus	2
2438407	10.1021/jm00389a002	Cholecystokinin receptor	1
2438407	10.1021/jm00389a002	Cholecystokinin receptor type A	1
2438407	10.1021/jm00389a002	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine