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Compound Detail

CHEMBL1729385

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O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1729385
Phase Preclinical
Structure Type MOL
InChI Key HZGZXCPCTCRQGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
2.72
ALogP
6
HBA
1
HBD
62.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28FN5O2
MW 461.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.93

Data from ChEMBL 36 via Core Engine