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Compound Detail

CHEMBL3099783

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COc1ccc(-c2nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn2-c2ccnc3cc(Cl)ccc23)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099783
Phase Preclinical
Structure Type MOL
InChI Key MSSVRMZTTHGMIT-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.0
MW (Da)
4.99
ALogP
7
HBA
2
HBD
115.6
PSA (Ų)
0.32
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 C27H27ClN4O5
MW 522.99
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
24332089 10.1016/j.bmcl.2013.11.026 Neurotensin receptor type 1 1

Data from ChEMBL 36 via Core Engine