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Compound Detail

CHEMBL4292651

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CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCOC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4292651
Phase Preclinical
Structure Type MOL
InChI Key UQMFZPRNRZVVCB-WPMUBMLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

745.9
MW (Da)
-0.95
ALogP
11
HBA
8
HBD
264.7
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H55N7O10
MW 745.87
Aromatic Rings 1
Heavy Atoms 53
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
29541365 10.1021/acsmedchemlett.7b00500 Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine