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Compound Detail

CHEMBL1790701

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

Basic Information

ChEMBL ID CHEMBL1790701
Phase Preclinical
Structure Type MOL
InChI Key WLEBKPCOWKLDCS-AWTHHPGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

600.8
MW (Da)
2.80
ALogP
6
HBA
4
HBD
154.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H48N4O7
MW 600.76
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
10498212 10.1016/s0960-894x(99)00420-5 Neurotensin receptor 1

Data from ChEMBL 36 via Core Engine