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Compound Detail

CHEMBL2312902

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N#Cc1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312902
Phase Preclinical
Structure Type MOL
InChI Key SCKRHNGUSKPPKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.37
ALogP
6
HBA
0
HBD
80.7
PSA (Ų)
0.48
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 C23H16N4O2
MW 380.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
25909279 10.1021/acs.jmedchem.5b00303 NON-PROTEIN TARGET 2
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 1
25909279 10.1021/acs.jmedchem.5b00303 DNA topoisomerase 1 1
25909279 10.1021/acs.jmedchem.5b00303 HOP-62 1
25909279 10.1021/acs.jmedchem.5b00303 HCT-116 1
25909279 10.1021/acs.jmedchem.5b00303 UACC-62 1
25909279 10.1021/acs.jmedchem.5b00303 OVCAR-3 1
25909279 10.1021/acs.jmedchem.5b00303 SN12C 1
25909279 10.1021/acs.jmedchem.5b00303 DU-145 1
25909279 10.1021/acs.jmedchem.5b00303 MCF7 1

Data from ChEMBL 36 via Core Engine