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Compound Detail

CHEMBL3716122

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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3716122
Phase Preclinical
Structure Type MOL
InChI Key LWUYABGGUMDVGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.36
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O2
MW 375.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine