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Compound Detail

CHEMBL3895472

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O=C1C2C=CC=CC2C(c2ccc(Oc3ccccc3)cc2)N1c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3895472
Phase Preclinical
Structure Type MOL
InChI Key CHKREEOQSZISDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.80
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N3O2
MW 419.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine