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Compound Detail

CHEMBL4294560

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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CC=CC[C@@H](C(=O)O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294560
Phase Preclinical
Structure Type MOL
InChI Key BFWZQFFFGCRXTK-AUUFLVQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

685.8
MW (Da)
-0.20
ALogP
9
HBA
8
HBD
246.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H51N7O8
MW 685.82
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 1.13

Literature References

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

Data from ChEMBL 36 via Core Engine