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Compound Detail

CHEMBL4643140

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Cc1cc(Oc2c(C)cc(C(=O)N[C@H]3C[C@@]4(c5ccc(F)cc5C)CC[C@H](C(C)(C)C#N)N4C3=O)cc2F)c(=O)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643140
Phase Preclinical
Structure Type MOL
InChI Key AMDUPVQLAGRNKD-XXYDJGGASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

575.6
MW (Da)
4.70
ALogP
6
HBA
2
HBD
128.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31F2N5O4
MW 575.62
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.83

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