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Compound Detail

CHEMBL331613

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Cc1cc(C)cc(/C(F)=C2/CC[C@@H](NC(=O)c3ccnc4ccccc34)C[C@@H]2Cc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331613
Phase Preclinical
Structure Type MOL
InChI Key WSCXFZWPQPJUAS-MNUKNTEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
7.37
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31FN2O
MW 478.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00624-5 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine