Details of the Drug

General Information of Drug (ID: DMMEFO0)

Drug Name

COH29

Synonyms

Coh-29; COH-29; UNII-07802BU06S; 07802BU06S; 1190932-38-7; Rnr inhibitor COH29; SCHEMBL10036527; MolPort-044-567-552; AKOS032944935; CS-6153; HY-19931; N-(4-(3,4-dihydroxyphenyl)-5-phenylthiazol-2-yl)-3,4-dihydroxybenzamide; Benzamide, N-(4-(3,4-dihydroxyphenyl)-5-phenyl-2-thiazolyl)-3,4-dihydroxy-

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

420.4

Topological Polar Surface Area (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C22H16N2O5S
IUPAC Name: N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChI: InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)
InChIKey: LGGDLPSXAGQFSG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44253415
CAS Number: 1190932-38-7
TTD ID: D0NS6Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ribonucleotide reductase (RIR)	TTX09M4	RIR1_HUMAN; RIR2_HUMAN; RIR2B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.
3	Preclinical Pharmacokinetics of Fosciclopirox, a Novel Treatment of Urothelial Cancers, in Rats and Dogs. J Pharmacol Exp Ther. 2019 Aug;370(2):148-159.
4	Anti-tumor effect of oncolytic herpes simplex virus G47delta on human nasopharyngeal carcinoma. Chin J Cancer. 2011 Dec;30(12):831-41.
5	Didox (a novel ribonucleotide reductase inhibitor) overcomes Bcl-2 mediated radiation resistance in prostate cancer cell line PC-3. Cancer Biol Ther. 2002 Sep-Oct;1(5):539-45.
6	Suppression of retrovirus-induced immunodeficiency disease (murine AIDS) by trimidox and didox: novel ribonucleotide reductase inhibitors with less bone marrow toxicity than hydroxyurea. Antiviral Res. 2002 Nov;56(2):167-81.
7	Metabolism of the new ribonucleotide reductase inhibitor amidox in the isolated perfused rat liver. Anticancer Res. 2000 Sep- Oct;20(5B):3521-6.