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Compound Detail

CHEMBL3040097

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CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)CN5)cc4)cc([N+](=O)[O-])c3)cc2)NC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040097
Phase Preclinical
Structure Type MOL
InChI Key SUQLJPVFGFQNEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.68
ALogP
6
HBA
2
HBD
91.9
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 C30H33N5O2
MW 495.63
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine