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Compound Detail

CHEMBL186637

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CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186637
Phase Preclinical
Structure Type MOL
InChI Key OZRNUSLCMREOFC-YARCRRPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

843.0
MW (Da)
-1.04
ALogP
10
HBA
10
HBD
340.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H66N12O8
MW 843.04
Aromatic Rings 1
Heavy Atoms 60
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
15481995 10.1021/jm049644y Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine