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Compound Detail

CHEMBL1183745

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COC(=O)CC1(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)CC(c2cccc(C(=N)N)c2)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183745
Phase Preclinical
Structure Type MOL
InChI Key HRMHANGEGOZDTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
3.71
ALogP
7
HBA
3
HBD
136.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O5
MW 486.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine