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Compound Detail

CHEMBL206149

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CN1C(=O)C(NC(=O)N2CCC(n3c(O)nc4ccccc43)CC2)N=C(c2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206149
Phase Preclinical
Structure Type MOL
InChI Key VGQYNXXXCZGDOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
3.93
ALogP
6
HBA
2
HBD
103.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N6O3
MW 508.58
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
16527483 10.1016/j.bmcl.2006.02.051 Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 1

Data from ChEMBL 36 via Core Engine