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Compound Detail

CHEMBL1180795

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C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180795
Phase Preclinical
Structure Type MOL
InChI Key BXUUDSFBTQCCKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.0
MW (Da)
6.01
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30ClN2O+
MW 434.00
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine