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Compound Detail

CHEMBL2134161

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COc1cccc(-c2cc3nc(-c4cccc(C#N)c4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2134161
Phase Preclinical
Structure Type MOL
InChI Key LACRDMULUNPLPX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
4.50
ALogP
8
HBA
0
HBD
99.9
PSA (Ų)
0.35
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 C29H24N6O3
MW 504.55
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.60

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine