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Compound Detail

CHEMBL431622

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O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431622
Phase Preclinical
Structure Type MOL
InChI Key ZGHWPXSSDHUBPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

610.2
MW (Da)
7.84
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H36ClN3O
MW 610.20
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00558-6 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine