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Compound Detail

CHEMBL3787778

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CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)/C=C/c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787778
Phase Preclinical
Structure Type MOL
InChI Key LMZDWBMBYZOYDX-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.77
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.66
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 C20H21N5O
MW 347.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine