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Compound Detail

CHEMBL4640176

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Cc1cc(OCCc2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640176
Phase Preclinical
Structure Type MOL
InChI Key ILXZJDWUEGBJIY-ZHRRBRCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.48
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O3
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
32058712 10.1021/acs.jmedchem.9b01810 Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 1

Data from ChEMBL 36 via Core Engine