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Compound Detail

CHEMBL1716889

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CCCCNc1c(-c2ccc(-c3ccc(C(C)=O)cc3)c(OC)c2)nc2cc(C)ccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1716889
Phase Preclinical
Structure Type MOL
InChI Key ZZOLAKYNAGFTPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
6.40
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O2
MW 427.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine