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Compound Detail

CHEMBL4649325

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Cc1cc(CNC(=O)c2ccc([C@@H](C)[C@@]3(C)C(=O)Nc4ncccc43)cn2)cc(C2CCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649325
Phase Preclinical
Structure Type MOL
InChI Key UNADRFHKZYLGHK-XGCWNURASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
4.39
ALogP
5
HBA
2
HBD
96.9
PSA (Ų)
0.57
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 C27H29N5O2
MW 455.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.64

Activity Summary

Ki 1 meas.

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